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- PDB-5nff: Crystal structure of GP1 receptor binding domain from Morogoro virus -

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Basic information

Entry
Database: PDB / ID: 5nff
TitleCrystal structure of GP1 receptor binding domain from Morogoro virus
ComponentsGlycoprotein
KeywordsVIRAL PROTEIN / Viral envelope / receptor binding-domain / glycoprotein
Function / homology
Function and homology information


host cell Golgi membrane / receptor-mediated endocytosis of virus by host cell / membrane => GO:0016020 / host cell endoplasmic reticulum membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / metal ion binding
Similarity search - Function
Arenavirus glycoprotein, zinc binding domain / Arenavirus glycoprotein / Arenavirus glycoprotein
Similarity search - Domain/homology
CITRIC ACID / Pre-glycoprotein polyprotein GP complex
Similarity search - Component
Biological speciesMorogoro virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.615 Å
AuthorsIsraeli, H. / Cohen-Dvashi, H. / Shulman, A. / Shimon, A. / Diskin, R.
Funding support Israel, 1items
OrganizationGrant numberCountry
ISF - ICORE1775/12 Israel
CitationJournal: PLoS Pathog. / Year: 2017
Title: Mapping of the Lassa virus LAMP1 binding site reveals unique determinants not shared by other old world arenaviruses.
Authors: Israeli, H. / Cohen-Dvashi, H. / Shulman, A. / Shimon, A. / Diskin, R.
History
DepositionMar 14, 2017Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 19, 2017Provider: repository / Type: Initial release
Revision 1.1May 10, 2017Group: Database references
Revision 1.2Aug 14, 2019Group: Data collection / Category: reflns / reflns_shell
Item: _reflns.pdbx_Rrim_I_all / _reflns_shell.pdbx_Rrim_I_all
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_validate_close_contact / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Jan 17, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
B: Glycoprotein
A: Glycoprotein
C: Glycoprotein
D: Glycoprotein
E: Glycoprotein
F: Glycoprotein
G: Glycoprotein
H: Glycoprotein
I: Glycoprotein
J: Glycoprotein
K: Glycoprotein
L: Glycoprotein
M: Glycoprotein
N: Glycoprotein
O: Glycoprotein
P: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)317,55041
Polymers310,57116
Non-polymers6,97925
Water0
1
B: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,4705
Polymers19,4111
Non-polymers1,0594
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,8533
Polymers19,4111
Non-polymers4422
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,0164
Polymers19,4111
Non-polymers6053
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,6322
Polymers19,4111
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
E: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,0454
Polymers19,4111
Non-polymers6353
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
F: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,0273
Polymers19,4111
Non-polymers6172
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
G: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,8533
Polymers19,4111
Non-polymers4422
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
H: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,3813
Polymers19,4111
Non-polymers9702
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
I: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,8243
Polymers19,4111
Non-polymers4132
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
J: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,6322
Polymers19,4111
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
11
K: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,6322
Polymers19,4111
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
12
L: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,6322
Polymers19,4111
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
13
M: Glycoprotein


Theoretical massNumber of molelcules
Total (without water)19,4111
Polymers19,4111
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
14
N: Glycoprotein


Theoretical massNumber of molelcules
Total (without water)19,4111
Polymers19,4111
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
15
O: Glycoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,3212
Polymers19,4111
Non-polymers9111
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
16
P: Glycoprotein


Theoretical massNumber of molelcules
Total (without water)19,4111
Polymers19,4111
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)127.769, 127.769, 251.704
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number145
Space group name H-MP32
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resseq 80:86 or resseq 88:96 or resseq...
21(chain B and (resseq 80:86 or resseq 88:96 or resseq...
31(chain C and (resseq 80:86 or resseq 88:96 or resseq...
41(chain D and (resseq 80:86 or resseq 88:96 or resseq...
51(chain E and (resseq 80:86 or resseq 88:96 or resseq...
61(chain F and (resseq 80:86 or resseq 88:96 or resseq...
71(chain G and (resseq 80:86 or resseq 88:96 or resseq...
81(chain H and (resseq 80:86 or resseq 88:96 or resseq...
91(chain I and (resseq 80:86 or resseq 88:96 or resseq...
101(chain J and (resseq 80:86 or resseq 88:96 or resseq...
111(chain K and (resseq 80:86 or resseq 88:96 or resseq...
121(chain L and (resseq 80:86 or resseq 88:96 or resseq...
131(chain M and (resseq 80:86 or resseq 88:96 or resseq...
141(chain N and (resseq 80:86 or resseq 88:96 or resseq...
151(chain O and (resseq 80:86 or resseq 88:96 or resseq...
161(chain P and (resseq 80:86 or resseq 88:96 or resseq...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11THRTHRSERSER(chain A and (resseq 80:86 or resseq 88:96 or resseq...AB80 - 8616 - 22
12ASNASNVALVAL(chain A and (resseq 80:86 or resseq 88:96 or resseq...AB88 - 9624 - 32
13ASPASPASPASP(chain A and (resseq 80:86 or resseq 88:96 or resseq...AB9935
14THRTHRTHRTHR(chain A and (resseq 80:86 or resseq 88:96 or resseq...AB10036
15THRTHRSERSER(chain A and (resseq 80:86 or resseq 88:96 or resseq...AB80 - 23516 - 171
16THRTHRSERSER(chain A and (resseq 80:86 or resseq 88:96 or resseq...AB80 - 23516 - 171
17THRTHRSERSER(chain A and (resseq 80:86 or resseq 88:96 or resseq...AB80 - 23516 - 171
18THRTHRSERSER(chain A and (resseq 80:86 or resseq 88:96 or resseq...AB80 - 23516 - 171
21THRTHRSERSER(chain B and (resseq 80:86 or resseq 88:96 or resseq...BA80 - 8616 - 22
22ASNASNVALVAL(chain B and (resseq 80:86 or resseq 88:96 or resseq...BA88 - 9624 - 32
23ASPASPASPASP(chain B and (resseq 80:86 or resseq 88:96 or resseq...BA9935
24THRTHRTHRTHR(chain B and (resseq 80:86 or resseq 88:96 or resseq...BA10036
25THRTHRSERSER(chain B and (resseq 80:86 or resseq 88:96 or resseq...BA80 - 23516 - 171
26THRTHRSERSER(chain B and (resseq 80:86 or resseq 88:96 or resseq...BA80 - 23516 - 171
27THRTHRSERSER(chain B and (resseq 80:86 or resseq 88:96 or resseq...BA80 - 23516 - 171
28THRTHRSERSER(chain B and (resseq 80:86 or resseq 88:96 or resseq...BA80 - 23516 - 171
31THRTHRSERSER(chain C and (resseq 80:86 or resseq 88:96 or resseq...CC80 - 8616 - 22
32ASNASNVALVAL(chain C and (resseq 80:86 or resseq 88:96 or resseq...CC88 - 9624 - 32
33ASPASPASPASP(chain C and (resseq 80:86 or resseq 88:96 or resseq...CC9935
34THRTHRTHRTHR(chain C and (resseq 80:86 or resseq 88:96 or resseq...CC10036
35THRTHRSERSER(chain C and (resseq 80:86 or resseq 88:96 or resseq...CC80 - 23516 - 171
36THRTHRSERSER(chain C and (resseq 80:86 or resseq 88:96 or resseq...CC80 - 23516 - 171
37THRTHRSERSER(chain C and (resseq 80:86 or resseq 88:96 or resseq...CC80 - 23516 - 171
38THRTHRSERSER(chain C and (resseq 80:86 or resseq 88:96 or resseq...CC80 - 23516 - 171
41THRTHRSERSER(chain D and (resseq 80:86 or resseq 88:96 or resseq...DD80 - 8616 - 22
42ASNASNVALVAL(chain D and (resseq 80:86 or resseq 88:96 or resseq...DD88 - 9624 - 32
43ASPASPASPASP(chain D and (resseq 80:86 or resseq 88:96 or resseq...DD9935
44THRTHRTHRTHR(chain D and (resseq 80:86 or resseq 88:96 or resseq...DD10036
45THRTHRSERSER(chain D and (resseq 80:86 or resseq 88:96 or resseq...DD80 - 23516 - 171
46THRTHRSERSER(chain D and (resseq 80:86 or resseq 88:96 or resseq...DD80 - 23516 - 171
47THRTHRSERSER(chain D and (resseq 80:86 or resseq 88:96 or resseq...DD80 - 23516 - 171
48THRTHRSERSER(chain D and (resseq 80:86 or resseq 88:96 or resseq...DD80 - 23516 - 171
51THRTHRSERSER(chain E and (resseq 80:86 or resseq 88:96 or resseq...EE80 - 8616 - 22
52ASNASNVALVAL(chain E and (resseq 80:86 or resseq 88:96 or resseq...EE88 - 9624 - 32
53ASPASPASPASP(chain E and (resseq 80:86 or resseq 88:96 or resseq...EE9935
54THRTHRTHRTHR(chain E and (resseq 80:86 or resseq 88:96 or resseq...EE10036
55THRTHRSERSER(chain E and (resseq 80:86 or resseq 88:96 or resseq...EE80 - 23516 - 171
56THRTHRSERSER(chain E and (resseq 80:86 or resseq 88:96 or resseq...EE80 - 23516 - 171
57THRTHRSERSER(chain E and (resseq 80:86 or resseq 88:96 or resseq...EE80 - 23516 - 171
58THRTHRSERSER(chain E and (resseq 80:86 or resseq 88:96 or resseq...EE80 - 23516 - 171
61THRTHRSERSER(chain F and (resseq 80:86 or resseq 88:96 or resseq...FF80 - 8616 - 22
62ASNASNVALVAL(chain F and (resseq 80:86 or resseq 88:96 or resseq...FF88 - 9624 - 32
63ASPASPASPASP(chain F and (resseq 80:86 or resseq 88:96 or resseq...FF9935
64THRTHRTHRTHR(chain F and (resseq 80:86 or resseq 88:96 or resseq...FF10036
65THRTHRSERSER(chain F and (resseq 80:86 or resseq 88:96 or resseq...FF80 - 23516 - 171
66THRTHRSERSER(chain F and (resseq 80:86 or resseq 88:96 or resseq...FF80 - 23516 - 171
67THRTHRSERSER(chain F and (resseq 80:86 or resseq 88:96 or resseq...FF80 - 23516 - 171
68THRTHRSERSER(chain F and (resseq 80:86 or resseq 88:96 or resseq...FF80 - 23516 - 171
71THRTHRSERSER(chain G and (resseq 80:86 or resseq 88:96 or resseq...GG80 - 8616 - 22
72ASNASNVALVAL(chain G and (resseq 80:86 or resseq 88:96 or resseq...GG88 - 9624 - 32
73ASPASPASPASP(chain G and (resseq 80:86 or resseq 88:96 or resseq...GG9935
74THRTHRTHRTHR(chain G and (resseq 80:86 or resseq 88:96 or resseq...GG10036
75THRTHRSERSER(chain G and (resseq 80:86 or resseq 88:96 or resseq...GG80 - 23516 - 171
76THRTHRSERSER(chain G and (resseq 80:86 or resseq 88:96 or resseq...GG80 - 23516 - 171
77THRTHRSERSER(chain G and (resseq 80:86 or resseq 88:96 or resseq...GG80 - 23516 - 171
78THRTHRSERSER(chain G and (resseq 80:86 or resseq 88:96 or resseq...GG80 - 23516 - 171
81THRTHRSERSER(chain H and (resseq 80:86 or resseq 88:96 or resseq...HH80 - 8616 - 22
82ASNASNVALVAL(chain H and (resseq 80:86 or resseq 88:96 or resseq...HH88 - 9624 - 32
83ASPASPASPASP(chain H and (resseq 80:86 or resseq 88:96 or resseq...HH9935
84THRTHRTHRTHR(chain H and (resseq 80:86 or resseq 88:96 or resseq...HH10036
85THRTHRSERSER(chain H and (resseq 80:86 or resseq 88:96 or resseq...HH80 - 23516 - 171
86THRTHRSERSER(chain H and (resseq 80:86 or resseq 88:96 or resseq...HH80 - 23516 - 171
87THRTHRSERSER(chain H and (resseq 80:86 or resseq 88:96 or resseq...HH80 - 23516 - 171
88THRTHRSERSER(chain H and (resseq 80:86 or resseq 88:96 or resseq...HH80 - 23516 - 171
91THRTHRSERSER(chain I and (resseq 80:86 or resseq 88:96 or resseq...II80 - 8616 - 22
92ASNASNVALVAL(chain I and (resseq 80:86 or resseq 88:96 or resseq...II88 - 9624 - 32
93ASPASPASPASP(chain I and (resseq 80:86 or resseq 88:96 or resseq...II9935
94THRTHRTHRTHR(chain I and (resseq 80:86 or resseq 88:96 or resseq...II10036
95THRTHRSERSER(chain I and (resseq 80:86 or resseq 88:96 or resseq...II80 - 23516 - 171
96THRTHRSERSER(chain I and (resseq 80:86 or resseq 88:96 or resseq...II80 - 23516 - 171
97THRTHRSERSER(chain I and (resseq 80:86 or resseq 88:96 or resseq...II80 - 23516 - 171
98THRTHRSERSER(chain I and (resseq 80:86 or resseq 88:96 or resseq...II80 - 23516 - 171
101THRTHRSERSER(chain J and (resseq 80:86 or resseq 88:96 or resseq...JJ80 - 8616 - 22
102ASNASNVALVAL(chain J and (resseq 80:86 or resseq 88:96 or resseq...JJ88 - 9624 - 32
103ASPASPASPASP(chain J and (resseq 80:86 or resseq 88:96 or resseq...JJ9935
104THRTHRTHRTHR(chain J and (resseq 80:86 or resseq 88:96 or resseq...JJ10036
105THRTHRSERSER(chain J and (resseq 80:86 or resseq 88:96 or resseq...JJ80 - 23516 - 171
106THRTHRSERSER(chain J and (resseq 80:86 or resseq 88:96 or resseq...JJ80 - 23516 - 171
107THRTHRSERSER(chain J and (resseq 80:86 or resseq 88:96 or resseq...JJ80 - 23516 - 171
108THRTHRSERSER(chain J and (resseq 80:86 or resseq 88:96 or resseq...JJ80 - 23516 - 171
111THRTHRSERSER(chain K and (resseq 80:86 or resseq 88:96 or resseq...KK80 - 8616 - 22
112ASNASNVALVAL(chain K and (resseq 80:86 or resseq 88:96 or resseq...KK88 - 9624 - 32
113ASPASPASPASP(chain K and (resseq 80:86 or resseq 88:96 or resseq...KK9935
114THRTHRTHRTHR(chain K and (resseq 80:86 or resseq 88:96 or resseq...KK10036
115THRTHRSERSER(chain K and (resseq 80:86 or resseq 88:96 or resseq...KK80 - 23516 - 171
116THRTHRSERSER(chain K and (resseq 80:86 or resseq 88:96 or resseq...KK80 - 23516 - 171
117THRTHRSERSER(chain K and (resseq 80:86 or resseq 88:96 or resseq...KK80 - 23516 - 171
118THRTHRSERSER(chain K and (resseq 80:86 or resseq 88:96 or resseq...KK80 - 23516 - 171
121THRTHRSERSER(chain L and (resseq 80:86 or resseq 88:96 or resseq...LL80 - 8616 - 22
122ASNASNVALVAL(chain L and (resseq 80:86 or resseq 88:96 or resseq...LL88 - 9624 - 32
123ASPASPASPASP(chain L and (resseq 80:86 or resseq 88:96 or resseq...LL9935
124THRTHRTHRTHR(chain L and (resseq 80:86 or resseq 88:96 or resseq...LL10036
125THRTHRSERSER(chain L and (resseq 80:86 or resseq 88:96 or resseq...LL80 - 23516 - 171
126THRTHRSERSER(chain L and (resseq 80:86 or resseq 88:96 or resseq...LL80 - 23516 - 171
127THRTHRSERSER(chain L and (resseq 80:86 or resseq 88:96 or resseq...LL80 - 23516 - 171
128THRTHRSERSER(chain L and (resseq 80:86 or resseq 88:96 or resseq...LL80 - 23516 - 171
131THRTHRSERSER(chain M and (resseq 80:86 or resseq 88:96 or resseq...MM80 - 8616 - 22
132ASNASNVALVAL(chain M and (resseq 80:86 or resseq 88:96 or resseq...MM88 - 9624 - 32
133ASPASPASPASP(chain M and (resseq 80:86 or resseq 88:96 or resseq...MM9935
134THRTHRTHRTHR(chain M and (resseq 80:86 or resseq 88:96 or resseq...MM10036
135THRTHRSERSER(chain M and (resseq 80:86 or resseq 88:96 or resseq...MM80 - 23516 - 171
136THRTHRSERSER(chain M and (resseq 80:86 or resseq 88:96 or resseq...MM80 - 23516 - 171
137THRTHRSERSER(chain M and (resseq 80:86 or resseq 88:96 or resseq...MM80 - 23516 - 171
138THRTHRSERSER(chain M and (resseq 80:86 or resseq 88:96 or resseq...MM80 - 23516 - 171
141THRTHRSERSER(chain N and (resseq 80:86 or resseq 88:96 or resseq...NN80 - 8616 - 22
142ASNASNVALVAL(chain N and (resseq 80:86 or resseq 88:96 or resseq...NN88 - 9624 - 32
143ASPASPASPASP(chain N and (resseq 80:86 or resseq 88:96 or resseq...NN9935
144THRTHRTHRTHR(chain N and (resseq 80:86 or resseq 88:96 or resseq...NN10036
145THRTHRSERSER(chain N and (resseq 80:86 or resseq 88:96 or resseq...NN80 - 23516 - 171
146THRTHRSERSER(chain N and (resseq 80:86 or resseq 88:96 or resseq...NN80 - 23516 - 171
147THRTHRSERSER(chain N and (resseq 80:86 or resseq 88:96 or resseq...NN80 - 23516 - 171
148THRTHRSERSER(chain N and (resseq 80:86 or resseq 88:96 or resseq...NN80 - 23516 - 171
151THRTHRSERSER(chain O and (resseq 80:86 or resseq 88:96 or resseq...OO80 - 8616 - 22
152ASNASNVALVAL(chain O and (resseq 80:86 or resseq 88:96 or resseq...OO88 - 9624 - 32
153ASPASPASPASP(chain O and (resseq 80:86 or resseq 88:96 or resseq...OO9935
154THRTHRTHRTHR(chain O and (resseq 80:86 or resseq 88:96 or resseq...OO10036
155THRTHRSERSER(chain O and (resseq 80:86 or resseq 88:96 or resseq...OO80 - 23516 - 171
156THRTHRSERSER(chain O and (resseq 80:86 or resseq 88:96 or resseq...OO80 - 23516 - 171
157THRTHRSERSER(chain O and (resseq 80:86 or resseq 88:96 or resseq...OO80 - 23516 - 171
158THRTHRSERSER(chain O and (resseq 80:86 or resseq 88:96 or resseq...OO80 - 23516 - 171
161THRTHRSERSER(chain P and (resseq 80:86 or resseq 88:96 or resseq...PP80 - 8616 - 22
162ASNASNVALVAL(chain P and (resseq 80:86 or resseq 88:96 or resseq...PP88 - 9624 - 32
163ASPASPASPASP(chain P and (resseq 80:86 or resseq 88:96 or resseq...PP9935
164THRTHRTHRTHR(chain P and (resseq 80:86 or resseq 88:96 or resseq...PP10036
165THRTHRSERSER(chain P and (resseq 80:86 or resseq 88:96 or resseq...PP80 - 23516 - 171
166THRTHRSERSER(chain P and (resseq 80:86 or resseq 88:96 or resseq...PP80 - 23516 - 171
167THRTHRSERSER(chain P and (resseq 80:86 or resseq 88:96 or resseq...PP80 - 23516 - 171
168THRTHRSERSER(chain P and (resseq 80:86 or resseq 88:96 or resseq...PP80 - 23516 - 171

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Components

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Protein / Non-polymers , 2 types, 22 molecules BACDEFGHIJKLMNOP

#1: Protein
Glycoprotein /


Mass: 19410.670 Da / Num. of mol.: 16
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Morogoro virus / Gene: GPC / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: C6ZK00
#6: Chemical
ChemComp-CIT / CITRIC ACID / Citric acid


Mass: 192.124 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C6H8O7

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Sugars , 4 types, 19 molecules

#2: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#3: Polysaccharide alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpa1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5]/1-1-2-2/a4-b1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][a-D-Manp]{[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#4: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-3DManpa1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5]/1-1-2-2-2/a4-b1_b4-c1_c3-d1_d2-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][a-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#5: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 15
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 4.16 Å3/Da / Density % sol: 70.46 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 26% PEG 8000, 100 mM sodium citrate pH 4.0 and 0.01% octylphenoxypolyethoxyethanol (IGEPAL)

-
Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.9194 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 27, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9194 Å / Relative weight: 1
ReflectionResolution: 2.61→46.19 Å / Num. obs: 138414 / % possible obs: 98.9 % / Redundancy: 4 % / CC1/2: 0.987 / Rrim(I) all: 0.149 / Net I/σ(I): 9.09
Reflection shellResolution: 2.61→2.7 Å / Redundancy: 3.8 % / Mean I/σ(I) obs: 1.58 / CC1/2: 0.35 / Rrim(I) all: 0.963 / % possible all: 92.2

-
Processing

Software
NameVersionClassification
PHENIXdev_2236refinement
PDB_EXTRACT3.22data extraction
XDSNovember 3, 2014data reduction
XSCALENovember 3, 2014data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4ZJF
Resolution: 2.615→46.188 Å / SU ML: 0.26 / Cross valid method: FREE R-VALUE / σ(F): 2.3 / Phase error: 19.29
RfactorNum. reflection% reflectionSelection details
Rfree0.2074 6982 5.04 %Random
Rwork0.174 ---
obs0.1757 138413 99.65 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 149.88 Å2 / Biso mean: 55.7144 Å2 / Biso min: 18.69 Å2
Refinement stepCycle: final / Resolution: 2.615→46.188 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19936 0 455 0 20391
Biso mean--68.52 --
Num. residues----2496
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00920941
X-RAY DIFFRACTIONf_angle_d1.1828554
X-RAY DIFFRACTIONf_chiral_restr0.073244
X-RAY DIFFRACTIONf_plane_restr0.0083612
X-RAY DIFFRACTIONf_dihedral_angle_d25.96111962
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A10415X-RAY DIFFRACTION14.012TORSIONAL
12B10415X-RAY DIFFRACTION14.012TORSIONAL
13C10415X-RAY DIFFRACTION14.012TORSIONAL
14D10415X-RAY DIFFRACTION14.012TORSIONAL
15E10415X-RAY DIFFRACTION14.012TORSIONAL
16F10415X-RAY DIFFRACTION14.012TORSIONAL
17G10415X-RAY DIFFRACTION14.012TORSIONAL
18H10415X-RAY DIFFRACTION14.012TORSIONAL
19I10415X-RAY DIFFRACTION14.012TORSIONAL
110J10415X-RAY DIFFRACTION14.012TORSIONAL
111K10415X-RAY DIFFRACTION14.012TORSIONAL
112L10415X-RAY DIFFRACTION14.012TORSIONAL
113M10415X-RAY DIFFRACTION14.012TORSIONAL
114N10415X-RAY DIFFRACTION14.012TORSIONAL
115O10415X-RAY DIFFRACTION14.012TORSIONAL
116P10415X-RAY DIFFRACTION14.012TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.6149-2.64460.25782060.23763887409389
2.6446-2.67570.2422380.224144134651100
2.6757-2.70830.28082280.227644284656100
2.7083-2.74260.23012300.212843704600100
2.7426-2.77870.23982380.192444544692100
2.7787-2.81680.18622380.169943774615100
2.8168-2.8570.20322280.156743554583100
2.857-2.89960.20472280.161244414669100
2.8996-2.94490.22362380.15943724610100
2.9449-2.99320.20492140.156644154629100
2.9932-3.04480.20272560.153444164672100
3.0448-3.10020.21582220.165543874609100
3.1002-3.15980.19372120.159143994611100
3.1598-3.22430.17162230.158344034626100
3.2243-3.29440.22462340.177644264660100
3.2944-3.3710.1912380.160643834621100
3.371-3.45530.20873300.170543524682100
3.4553-3.54860.20122180.165343864604100
3.5486-3.6530.18011660.158144294595100
3.653-3.77090.20142740.157143944668100
3.7709-3.90560.18941740.15944064580100
3.9056-4.06190.18542430.169943704613100
4.0619-4.24660.21082300.174844644694100
4.2466-4.47030.19322730.155443194592100
4.4703-4.75020.18342180.146344234641100
4.7502-5.11650.18792560.155543864642100
5.1165-5.63060.19982440.167843854629100
5.6306-6.44340.23932240.204443994623100
6.4434-8.11090.23812240.203444114635100
8.1109-46.19490.24462370.233343814618100
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.39960.40810.87564.60112.54214.63850.08370.10260.321-0.16990.0217-0.189-0.14410.0454-0.16070.3081-0.06640.04230.20.08920.31712.3263-4.157-42.9836
21.10250.3479-0.3231.1376-0.05261.42720.0050.00780.04740.01190.0286-0.1035-0.09240.0776-0.0310.2784-0.0577-0.00460.22780.01160.322810.3728-12.9091-38.6373
33.44181.7103-0.44926.67373.38542.70770.1142-0.2602-0.33140.463-0.0549-0.42-0.0688-0.0853-0.2130.33690.1364-0.0520.35260.01320.422882.585841.274239.2145
44.5171-4.8343-1.17419.46075.88865.2743-0.23210.3522-0.76420.27-0.5550.79150.9104-1.09970.94020.4959-0.03140.01330.3825-0.02450.640964.534941.218440.9722
50.70280.4592-0.37032.8426-1.11542.66340.1615-0.0672-0.0379-0.1611-0.12670.12980.09770.0976-0.03540.35730.08930.01430.2992-0.02750.414871.178651.081840.7371
66.3159-5.11420.90624.7243-1.61091.75520.10270.46350.5164-0.131-0.14740.0357-0.1335-0.10860.00810.39190.09070.01240.25380.0350.372375.037654.510328.3469
78.0183-5.00155.26426.2953-4.08226.95940.01191.0704-0.30080.3465-0.4749-0.0238-0.27330.86530.42990.47250.0118-0.00290.40590.05410.431680.740253.899624.1823
84.5753.88354.22663.3263.61874.3186-0.46110.21320.0398-0.77430.71030.4964-0.22380.5138-0.28180.3650.15040.09230.53390.01520.359774.856952.511725.5665
97.77910.96250.71242.8482-0.57442.8271-0.1195-0.4299-0.46130.4121-0.0027-0.41860.20840.31080.0840.42670.08340.01010.32180.02540.401578.96238.579642.1881
107.4273.4466-0.27072.3646-1.36464.39130.2102-0.05230.22480.1181-0.15130.3666-0.2869-0.2169-0.11360.29160.11070.06370.2614-0.02790.440291.478827.332539.1289
115.0196-1.26653.2872.95910.43954.22070.358-0.25880.10781.0904-0.7079-0.068-0.83321.17390.64630.4357-0.0801-0.03460.4526-0.02560.4596106.885126.114448.5641
122.3079-0.9533-0.23130.96020.73651.35750.0276-0.0745-0.23370.08940.00080.12610.2102-0.118-0.02520.34580.05130.04650.2150.07070.359100.761912.702842.6478
131.7754-0.7745-1.37441.13830.25432.76750.0539-0.0684-0.06150.04340.03260.12110.03750.1236-0.05630.26240.00060.03350.20610.02260.2816106.401121.378239.4129
149.0935-4.35036.57624.6488-4.2175.17620.05420.5022-0.15170.01050.0425-0.1221-0.13690.3997-0.05040.25260.03280.04490.18210.00290.31398.276317.179429.8197
150.8511-0.1601-0.64862.76061.63916.60860.17230.21680.0907-0.08430.0498-0.0892-0.1816-0.309-0.19320.15050.04660.00380.25840.05730.3152101.295720.936630.2933
167.4409-4.93184.62527.9226-7.82287.9353-0.5456-0.72740.28840.24020.17490.7708-0.7630.11590.3470.46810.09020.15320.2985-0.03120.331991.003831.19944.8836
177.858-5.62054.97436.8173-4.56553.522-0.01830.0308-1.038-0.54170.7744-0.50740.8652-0.9996-0.66970.4313-0.16050.02760.6599-0.05430.697470.424212.7462-6.8573
183.3774-3.2826-0.24496.45973.34785.1456-0.1311-0.76260.18040.41280.2906-0.0236-0.10641.2025-0.54090.2934-0.0353-0.03070.4728-0.05320.537361.622321.05860.7516
194.68155.4374-5.11826.0871-5.76585.4567-0.3434-0.8708-0.55170.1786-0.3721-0.55040.86350.75040.76060.49930.0244-0.09490.69260.04590.702956.00322.6950.8096
201.84810.42471.08221.39330.48682.46070.0038-0.310.00980.16240.0389-0.17960.06380.1121-0.05050.26540.009-0.01540.41780.00880.430150.490813.2631-0.6934
213.73421.68624.61840.6832.31389.4297-0.2782-0.00560.2129-0.16260.08210.0007-0.33470.03430.16840.20960.0505-0.03710.275-0.02550.419650.019217.4118-13.6124
227.8185-3.91414.38994.5458-1.37999.235-0.12290.13530.9897-0.1070.069-0.5631-0.42070.2807-0.03210.2742-0.00130.00740.2055-0.02180.351953.271321.4764-17.795
238.9666-7.92371.75047.5697-0.63232.60060.3041-0.1664-0.1557-0.2001-0.03260.09010.0769-0.017-0.32030.2135-0.10110.03090.296-0.02420.438951.622215.8496-16.1933
247.92672.18770.21636.08624.3746.5667-0.1329-0.54430.40210.7426-0.0148-0.26610.37010.29470.07960.35990.0613-0.08460.43530.00340.383165.110814.10291.4332
254.5593-3.70910.69115.65510.31291.4731-0.06220.0825-0.2120.1378-0.08050.2225-0.0006-0.15530.06560.231-0.049-0.02690.4334-0.02930.381581.122619.4386-1.3255
262.9872-4.90062.66118.9404-4.47032.2797-0.6729-0.43140.75160.82920.193-0.5919-0.6219-0.66150.64280.43810.00940.02970.5117-0.01690.526190.481732.63197.091
271.83750.1658-0.2110.6133-0.25240.82360.0225-0.0321-0.17350.0312-0.0415-0.12550.03010.03690.0060.22390.0058-0.03640.29870.03630.311196.884621.38052.8178
283.4692-0.55541.10158.3834-7.82519.086-0.24020.0994-0.03790.0064-0.093-0.5734-0.0779-0.17830.51190.264-0.0362-0.00990.35850.04090.469591.176529.0789-2.1048
297.99596.1852.14544.59982.12535.306-0.23970.30330.0402-0.44820.4242-0.22970.01950.4904-0.09040.25680.0595-0.01250.38860.03470.392495.976524.407-11.7424
305.7452-3.2312-5.13856.08242.81074.61770.2215-0.2607-0.0619-0.1789-0.1456-0.14220.0804-0.1686-0.07380.322-0.0335-0.07230.46680.0910.357693.266324.1186-15.7123
316.49135.4724-1.03344.3226-0.75021.7201-0.016-0.0338-0.11220.0842-0.10840.00940.1218-0.2960.08380.26350.0252-0.00260.44450.05270.405280.731721.97323.1974
324.6052-0.6312.0672.4886-0.59194.714-0.01410.20860.1143-0.08540.0945-0.4602-0.13320.3086-0.12760.1961-0.03430.10490.32840.03040.3739125.560123.7769-2.4094
331.3162-0.042-0.52710.65840.21960.78420.01860.1295-0.0456-0.09240.01450.0014-0.04420.1913-0.02750.2666-0.01470.00410.38870.01390.3418117.289521.55652.6143
346.32192.88452.90115.40775.53885.7375-0.1510.0895-0.7676-0.70050.4990.4516-1.69790.267-0.22070.4496-0.0561-0.02330.36840.04490.58830.84251.21-40.2387
351.5495-2.4128-0.09386.5583-3.31165.41150.02020.0649-0.0408-0.36480.13890.5253-0.0296-0.2414-0.33590.4552-0.0876-0.07620.3479-0.01330.493325.458114.3368-43.3843
368.03946.0234-5.97195.8129-4.96094.4771-0.5530.8874-0.171-0.97680.2751-0.2611.24660.740.08040.62950.02690.04730.4994-0.12540.465342.388110.9448-52.3289
373.00310.16940.56680.40460.86173.0259-0.1240.34210.0404-0.35720.14420.1315-0.0792-0.0947-0.01750.4476-0.0846-0.0290.28830.06450.502636.539822.3217-47.4365
381.65580.46810.5701-0.08120.62093.77230.234-0.0973-0.1005-0.1393-0.04730.01960.0355-0.0027-0.15280.3873-0.055-0.03940.2662-0.00390.457840.331517.7706-36.5925
392.13492.46711.48196.71360.31924.92650.3063-0.26440.05040.2776-0.11050.18930.0743-0.3916-0.18720.1459-0.03840.00950.31370.00350.3737.213916.0279-33.5624
408.58631.0013-0.32576.1291-0.55078.6435-0.19670.059-0.66550.7817-0.28230.23720.82580.43160.3990.4208-0.0328-0.06490.28250.03590.40626.52886.0593-48.1851
415.37021.1368-4.22732.4576-1.30926.0668-0.27020.2399-0.2857-0.14110.13670.20050.3457-0.49870.14350.245-0.0275-0.10190.39590.01490.452720.362112.9863-4.6118
420.9211-0.4443-0.42241.1864-0.1670.8996-0.0685-0.1706-0.01730.08060.0849-0.00880.0783-0.0545-0.00440.2877-0.0196-0.01460.45840.04470.446128.743113.47910.7118
436.8628-2.61311.45047.4901-0.04214.4486-0.0221-0.6797-0.36620.04230.11490.32390.3193-0.4242-0.16790.2229-0.06620.03240.50460.08230.357257.480874.6869-3.5618
449.7947-6.94957.02359.5109-5.51564.8547-1.1603-0.83910.31251.74710.4604-0.4736-0.9748-0.60760.48910.5663-0.02440.09020.6981-0.02630.471566.234486.2066.9472
451.4254-0.0674-0.20011.22520.34060.71250.0265-0.2427-0.04670.14220.0056-0.15040.07780.0812-0.03270.2681-0.01-0.04340.40190.05990.347471.968179.0568-3.5453
465.5083-3.3072-3.53382.3511.8114.1695-0.1371-0.18260.08970.15940.3005-0.30810.10670.0691-0.18450.3167-0.0048-0.04660.32190.04270.340469.997281.9299-16.5438
479.53346.8009-0.78744.97990.06544.39740.1867-0.0648-0.46110.2058-0.1855-0.29420.1337-0.64480.00190.28880.0107-0.02170.55110.12470.406656.977376.30861.3619
485.064-3.4007-6.62895.3143.79839.178-0.1304-0.28520.10270.18440.1623-0.2647-0.00680.4501-0.230.2188-0.0742-0.06680.48320.04490.359840.9873.7242-3.3292
491.53011.4086-0.02021.473-0.26233.0459-0.0384-0.0344-0.11780.0489-0.0192-0.08510.23210.09170.09350.220.0330.0070.3822-0.0020.306526.197267.5797-1.4498
500.9340.2468-1.16373.8919-2.25914.40860.01660.1050.1349-0.0882-0.10590.0249-0.09920.15490.11340.24290.0334-0.02890.4631-0.01450.329728.006572.8183-12.2528
517.78280.38054.37168.06370.39184.324-0.0378-0.35160.12570.4939-0.2042-0.23930.13230.08920.19880.2398-0.00550.00270.4480.01090.222840.591268.8762-3.0692
527.28034.733-3.32818.6572-1.26612.6190.04010.1020.4142-0.2385-0.17710.4485-0.2469-0.01110.05560.22980.0484-0.08840.32010.0360.2941-6.403673.8827-1.8507
533.25523.5005-1.06097.6428-4.73524.3229-0.43370.6735-0.5099-1.0155-0.0073-0.21661.0747-0.28950.50940.48910.0364-0.04950.437-0.06150.40442.327162.1079-12.3177
541.557-1.52961.79731.9825-0.61532.3568-0.0450.32040.284-0.1801-0.1525-0.1882-0.13950.32860.18260.2115-0.04820.04240.32130.03720.265110.822973.4266-4.8544
550.4987-0.71431.22132.4626-2.78288.78320.11340.24110.138-0.36060.03170.00350.42320.2671-0.12270.2051-0.0033-0.00170.32710.05090.33916.030863.908-2.5647
562.1277-2.29610.37638.69160.9738.0262-0.3495-0.20440.01470.48340.1484-0.02180.060.43660.24960.2197-0.01-0.00530.26630.03430.28875.267170.359710.4783
572.10871.22961.76773.4321-0.35945.10320.00020.0174-0.02060.11380.2099-0.08630.10940.242-0.21130.14980.05620.03550.32510.020.28782.633767.15322.3933
586.9046-4.4302-4.74664.74894.79224.93060.1866-0.18850.2044-0.7198-0.2909-0.111-0.4684-0.10650.14130.34020.047-0.03390.37950.08050.3873-10.127573.149-7.7132
596.8491-1.20146.32151.6558-0.9466.8372-0.2088-0.0860.18120.21850.1719-0.31310.0122-0.1834-0.01350.2199-0.04610.0890.41680.04220.3249101.788179.8724-2.1054
602.0252-0.36510.42521.080.27221.8854-0.0121-0.0939-0.09410.09370.08420.05880.0817-0.266-0.06280.283-0.0127-0.01370.40010.0430.332193.36676.71672.0279
614.1571-2.8391-3.54645.92533.72975.97780.2194-0.0736-0.0358-0.20120.1247-0.32040.34850.3422-0.56850.4310.114-0.06010.36650.05760.39716.428242.592738.0915
625.9109-5.9908-6.9127.54126.43668.654-0.38660.4008-1.03290.4811-0.47040.84940.5092-1.15650.92490.42920.0221-0.03860.4992-0.00820.6651-1.648942.489639.036
631.0842-0.2379-0.33410.02640.04293.157-0.0412-0.2478-0.07850.07360.0712-0.0960.3988-0.0182-0.01750.39650.0713-0.02520.29350.0220.36464.729353.014836.2651
645.6704-6.4157-6.20897.69226.39447.8546-0.24291.04650.4734-0.1259-0.1571-0.0506-0.273-0.55340.35870.30150.0239-0.06560.25940.04590.247514.797754.941529.2808
652.25560.36040.05064.7238-3.32944.4780.1420.1665-0.10060.15620.0479-0.25910.12470.4683-0.17310.32230.0474-0.0340.3057-0.06510.319412.043551.618627.371
668.55994.64633.33273.45482.60442.2851-0.0459-0.6441-0.53990.2660.05120.2372-0.112-0.4153-0.03760.69650.14570.01510.47080.10650.59414.581137.350742.2294
671.23150.87790.73993.07490.31982.78080.04720.2531-0.0289-0.5416-0.00820.0799-0.1063-0.1946-0.03890.67420.1768-0.03490.4679-0.07270.430749.2261-5.053236.1171
682.9566-2.13920.25652.149-1.15812.9240.27210.4648-0.1130.106-0.24170.04290.8415-0.2176-0.06560.59860.148-0.03950.4007-0.05810.33139.35235.622244.1587
694.94545.08485.33235.78645.13075.94640.22591.2101-0.2919-0.8183-0.5298-0.46411.25721.12860.30210.91290.2729-0.01320.6403-0.01450.552855.04630.28532.6821
701.1064-0.5662-1.1744.58642.4512.9037-0.04650.0288-0.0989-0.1251-0.06830.45680.0817-0.0770.12280.47930.1458-0.08120.4372-0.02560.382345.1701-3.980446.4678
713.2291-3.35571.01866.3911-1.79053.03290.36220.5039-0.43630.0525-0.40710.28940.3149-0.0098-0.10180.3805-0.0877-0.04270.3286-0.05590.4718-4.139162.1362-45.4799
727.10395.1025-5.6034.5355-4.46284.30710.18090.7520.0095-0.3698-0.25420.32380.38690.8046-0.11140.46430.0089-0.06030.4641-0.03840.338610.742364.2898-55.3306
731.42041.09610.31131.07620.95881.0988-0.0487-0.02970.12970.12520.03210.0381-0.05390.0257-0.0180.4446-0.0601-0.05980.32660.06990.36114.693977.106-48.2037
744.40841.37674.15314.73131.46934.19920.1096-0.35230.43920.1936-0.35510.08460.2857-0.67780.11790.3591-0.0155-0.00360.38690.02810.37727.820466.1265-50.325
756.03341.24931.89661.68310.85383.0712-0.1247-0.3296-0.13170.2740.0491-0.0296-0.03760.29340.04220.4011-0.0396-0.03810.24680.00420.28478.713372.1141-35.867
763.71360.0992.69615.37472.46982.89180.1819-0.7044-0.14130.3045-0.15370.06650.0038-0.1765-0.08540.4723-0.0708-0.0680.44580.03870.30717.629569.6462-31.9258
777.75382.3681-1.68962.6805-1.01316.2372-0.36180.1811-0.1809-0.31740.38610.28810.6506-0.5601-0.05390.4731-0.0221-0.05060.32540.05610.4123-2.512760.8307-50.4294
783.19683.0572-0.65448.5683-1.1575.98760.2336-0.0210.0448-0.1283-0.12980.1762-0.2479-0.4572-0.20040.46540.1407-0.02360.373-0.00740.506225.334728.60538.4784
791.562-1.23860.43697.1107-5.74655.83910.0113-0.0726-0.24350.20230.11830.0293-0.02170.1786-0.19410.48360.1230.01950.3853-0.02540.472135.03620.09947.3632
806.4336-5.3234-0.53236.7369-0.030.0899-0.10380.4497-0.7738-0.7757-0.05740.40490.48570.16890.17980.92460.07-0.0580.52240.07270.388738.979112.761434.5963
818.0936.0105-6.71389.5284-7.03849.6775-0.3503-0.0762-0.1023-0.1313-0.0784-0.66410.96680.32410.40210.5560.1692-0.08440.4136-0.02440.495337.449324.722643.1659
829.2314-2.837-0.90895.09-1.7541.31060.37330.9220.7989-0.3275-0.46080.1119-0.14830.12940.05611.00570.2608-0.09550.6099-0.05030.506839.017618.720928.7608
833.85692.2566-1.06168.76576.67847.3316-0.13650.2542-0.1516-0.63520.2232-0.00790.16330.3257-0.14640.61690.131-0.03260.50420.02480.430236.572121.131324.89
849.1808-1.122-2.10293.83-0.88794.61570.0031-0.152-0.0111-0.0197-0.21980.2945-0.3613-0.32630.15770.42510.0578-0.06790.3051-0.01670.421527.001230.087243.2772
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'B' and (resid 80 through 121 )B80 - 121
2X-RAY DIFFRACTION2chain 'B' and (resid 122 through 235 )B122 - 235
3X-RAY DIFFRACTION3chain 'A' and (resid 80 through 107 )A80 - 107
4X-RAY DIFFRACTION4chain 'A' and (resid 108 through 121 )A108 - 121
5X-RAY DIFFRACTION5chain 'A' and (resid 122 through 171 )A122 - 171
6X-RAY DIFFRACTION6chain 'A' and (resid 172 through 193 )A172 - 193
7X-RAY DIFFRACTION7chain 'A' and (resid 194 through 205 )A194 - 205
8X-RAY DIFFRACTION8chain 'A' and (resid 206 through 216 )A206 - 216
9X-RAY DIFFRACTION9chain 'A' and (resid 217 through 235 )A217 - 235
10X-RAY DIFFRACTION10chain 'C' and (resid 80 through 107 )C80 - 107
11X-RAY DIFFRACTION11chain 'C' and (resid 108 through 121 )C108 - 121
12X-RAY DIFFRACTION12chain 'C' and (resid 122 through 151 )C122 - 151
13X-RAY DIFFRACTION13chain 'C' and (resid 152 through 181 )C152 - 181
14X-RAY DIFFRACTION14chain 'C' and (resid 182 through 193 )C182 - 193
15X-RAY DIFFRACTION15chain 'C' and (resid 194 through 224 )C194 - 224
16X-RAY DIFFRACTION16chain 'C' and (resid 225 through 235 )C225 - 235
17X-RAY DIFFRACTION17chain 'D' and (resid 80 through 89 )D80 - 89
18X-RAY DIFFRACTION18chain 'D' and (resid 90 through 107 )D90 - 107
19X-RAY DIFFRACTION19chain 'D' and (resid 108 through 121 )D108 - 121
20X-RAY DIFFRACTION20chain 'D' and (resid 122 through 171 )D122 - 171
21X-RAY DIFFRACTION21chain 'D' and (resid 172 through 193 )D172 - 193
22X-RAY DIFFRACTION22chain 'D' and (resid 194 through 205 )D194 - 205
23X-RAY DIFFRACTION23chain 'D' and (resid 206 through 216 )D206 - 216
24X-RAY DIFFRACTION24chain 'D' and (resid 217 through 235 )D217 - 235
25X-RAY DIFFRACTION25chain 'E' and (resid 80 through 107 )E80 - 107
26X-RAY DIFFRACTION26chain 'E' and (resid 108 through 121 )E108 - 121
27X-RAY DIFFRACTION27chain 'E' and (resid 122 through 159 )E122 - 159
28X-RAY DIFFRACTION28chain 'E' and (resid 160 through 171 )E160 - 171
29X-RAY DIFFRACTION29chain 'E' and (resid 172 through 193 )E172 - 193
30X-RAY DIFFRACTION30chain 'E' and (resid 194 through 216 )E194 - 216
31X-RAY DIFFRACTION31chain 'E' and (resid 217 through 235 )E217 - 235
32X-RAY DIFFRACTION32chain 'F' and (resid 80 through 121 )F80 - 121
33X-RAY DIFFRACTION33chain 'F' and (resid 122 through 235 )F122 - 235
34X-RAY DIFFRACTION34chain 'G' and (resid 80 through 89 )G80 - 89
35X-RAY DIFFRACTION35chain 'G' and (resid 90 through 107 )G90 - 107
36X-RAY DIFFRACTION36chain 'G' and (resid 108 through 121 )G108 - 121
37X-RAY DIFFRACTION37chain 'G' and (resid 122 through 159 )G122 - 159
38X-RAY DIFFRACTION38chain 'G' and (resid 160 through 193 )G160 - 193
39X-RAY DIFFRACTION39chain 'G' and (resid 194 through 224 )G194 - 224
40X-RAY DIFFRACTION40chain 'G' and (resid 225 through 235 )G225 - 235
41X-RAY DIFFRACTION41chain 'H' and (resid 80 through 121 )H80 - 121
42X-RAY DIFFRACTION42chain 'H' and (resid 122 through 235 )H122 - 235
43X-RAY DIFFRACTION43chain 'I' and (resid 80 through 107 )I80 - 107
44X-RAY DIFFRACTION44chain 'I' and (resid 108 through 121 )I108 - 121
45X-RAY DIFFRACTION45chain 'I' and (resid 122 through 193 )I122 - 193
46X-RAY DIFFRACTION46chain 'I' and (resid 194 through 216 )I194 - 216
47X-RAY DIFFRACTION47chain 'I' and (resid 217 through 235 )I217 - 235
48X-RAY DIFFRACTION48chain 'J' and (resid 80 through 107 )J80 - 107
49X-RAY DIFFRACTION49chain 'J' and (resid 108 through 151 )J108 - 151
50X-RAY DIFFRACTION50chain 'J' and (resid 152 through 213 )J152 - 213
51X-RAY DIFFRACTION51chain 'J' and (resid 214 through 235 )J214 - 235
52X-RAY DIFFRACTION52chain 'K' and (resid 80 through 107 )K80 - 107
53X-RAY DIFFRACTION53chain 'K' and (resid 108 through 121 )K108 - 121
54X-RAY DIFFRACTION54chain 'K' and (resid 122 through 151 )K122 - 151
55X-RAY DIFFRACTION55chain 'K' and (resid 152 through 181 )K152 - 181
56X-RAY DIFFRACTION56chain 'K' and (resid 182 through 205 )K182 - 205
57X-RAY DIFFRACTION57chain 'K' and (resid 206 through 224 )K206 - 224
58X-RAY DIFFRACTION58chain 'K' and (resid 225 through 235 )K225 - 235
59X-RAY DIFFRACTION59chain 'L' and (resid 80 through 121 )L80 - 121
60X-RAY DIFFRACTION60chain 'L' and (resid 122 through 235 )L122 - 235
61X-RAY DIFFRACTION61chain 'M' and (resid 80 through 107 )M80 - 107
62X-RAY DIFFRACTION62chain 'M' and (resid 108 through 121 )M108 - 121
63X-RAY DIFFRACTION63chain 'M' and (resid 122 through 181 )M122 - 181
64X-RAY DIFFRACTION64chain 'M' and (resid 182 through 193 )M182 - 193
65X-RAY DIFFRACTION65chain 'M' and (resid 194 through 224 )M194 - 224
66X-RAY DIFFRACTION66chain 'M' and (resid 225 through 235 )M225 - 235
67X-RAY DIFFRACTION67chain 'N' and (resid 80 through 138 )N80 - 138
68X-RAY DIFFRACTION68chain 'N' and (resid 139 through 151 )N139 - 151
69X-RAY DIFFRACTION69chain 'N' and (resid 152 through 159 )N152 - 159
70X-RAY DIFFRACTION70chain 'N' and (resid 160 through 235 )N160 - 235
71X-RAY DIFFRACTION71chain 'O' and (resid 80 through 107 )O80 - 107
72X-RAY DIFFRACTION72chain 'O' and (resid 108 through 121 )O108 - 121
73X-RAY DIFFRACTION73chain 'O' and (resid 122 through 151 )O122 - 151
74X-RAY DIFFRACTION74chain 'O' and (resid 152 through 171 )O152 - 171
75X-RAY DIFFRACTION75chain 'O' and (resid 172 through 193 )O172 - 193
76X-RAY DIFFRACTION76chain 'O' and (resid 194 through 216 )O194 - 216
77X-RAY DIFFRACTION77chain 'O' and (resid 217 through 235 )O217 - 235
78X-RAY DIFFRACTION78chain 'P' and (resid 80 through 107 )P80 - 107
79X-RAY DIFFRACTION79chain 'P' and (resid 108 through 138 )P108 - 138
80X-RAY DIFFRACTION80chain 'P' and (resid 139 through 151 )P139 - 151
81X-RAY DIFFRACTION81chain 'P' and (resid 152 through 171 )P152 - 171
82X-RAY DIFFRACTION82chain 'P' and (resid 172 through 192 )P172 - 192
83X-RAY DIFFRACTION83chain 'P' and (resid 193 through 216 )P193 - 216
84X-RAY DIFFRACTION84chain 'P' and (resid 217 through 235 )P217 - 235

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