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- PDB-5zms: Crystal structure of Zika NS3 protease in complex with 4-guanidin... -

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Basic information

Entry
Database: PDB / ID: 5zms
TitleCrystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
Components
  • 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
  • NS3 protease
  • Serine protease subunit NS2B
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Viral protease / Serine protease / non-structural protein 3 / Zika protease / VIRAL PROTEIN / HYDROLASE-HYDROLASE INHIBITOR complex
Function / homology
Function and homology information


symbiont-mediated suppression of host JAK-STAT cascade via inhibition of host TYK2 activity / flavivirin / symbiont-mediated suppression of host JAK-STAT cascade via inhibition of STAT2 activity / symbiont-mediated suppression of host JAK-STAT cascade via inhibition of STAT1 activity / ribonucleoside triphosphate phosphatase activity / viral capsid / double-stranded RNA binding / nucleoside-triphosphate phosphatase / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / symbiont-mediated suppression of host toll-like receptor signaling pathway ...symbiont-mediated suppression of host JAK-STAT cascade via inhibition of host TYK2 activity / flavivirin / symbiont-mediated suppression of host JAK-STAT cascade via inhibition of STAT2 activity / symbiont-mediated suppression of host JAK-STAT cascade via inhibition of STAT1 activity / ribonucleoside triphosphate phosphatase activity / viral capsid / double-stranded RNA binding / nucleoside-triphosphate phosphatase / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / symbiont-mediated suppression of host toll-like receptor signaling pathway / mRNA (guanine-N7)-methyltransferase / methyltransferase cap1 / clathrin-dependent endocytosis of virus by host cell / mRNA (nucleoside-2'-O-)-methyltransferase activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / RNA helicase activity / host cell endoplasmic reticulum membrane / host cell perinuclear region of cytoplasm / protein dimerization activity / RNA helicase / symbiont entry into host cell / induction by virus of host autophagy / RNA-directed RNA polymerase / viral RNA genome replication / RNA-dependent RNA polymerase activity / serine-type endopeptidase activity / fusion of virus membrane with host endosome membrane / viral envelope / lipid binding / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / host cell nucleus / virion attachment to host cell / GTP binding / virion membrane / structural molecule activity / ATP hydrolysis activity / proteolysis / extracellular region / ATP binding / membrane / metal ion binding
Similarity search - Function
Thrombin, subunit H - #120 / : / Flavivirus envelope glycoprotein E, stem/anchor domain / Flavivirus capsid protein C superfamily / RNA-directed RNA polymerase, thumb domain, Flavivirus / Flavivirus RNA-directed RNA polymerase, thumb domain / Flavivirus non-structural protein NS2B / : / Flavivirus NS3 helicase, C-terminal helical domain / Genome polyprotein, Flavivirus ...Thrombin, subunit H - #120 / : / Flavivirus envelope glycoprotein E, stem/anchor domain / Flavivirus capsid protein C superfamily / RNA-directed RNA polymerase, thumb domain, Flavivirus / Flavivirus RNA-directed RNA polymerase, thumb domain / Flavivirus non-structural protein NS2B / : / Flavivirus NS3 helicase, C-terminal helical domain / Genome polyprotein, Flavivirus / Flavivirus non-structural protein NS4A / Flavivirus non-structural protein NS2B / Flavivirus capsid protein C / Flavivirus non-structural protein NS4B / mRNA cap 0/1 methyltransferase / Flavivirus capsid protein C / Flavivirus non-structural protein NS4B / Flavivirus non-structural protein NS4A / Flavivirus NS2B domain profile. / mRNA cap 0 and cap 1 methyltransferase (EC 2.1.1.56 and EC 2.1.1.57) domain profile. / Flavivirus non-structural protein NS2A / Flavivirus non-structural protein NS2A / Flavivirus NS3, petidase S7 / Peptidase S7, Flavivirus NS3 serine protease / Flavivirus NS3 protease (NS3pro) domain profile. / Envelope glycoprotein M, flavivirus / Flavivirus envelope glycoprotein M / RNA-directed RNA polymerase, flavivirus / Flavivirus RNA-directed RNA polymerase, fingers and palm domains / Flavivirus non-structural Protein NS1 / Flavivirus non-structural protein NS1 / Envelope glycoprotein M superfamily, flavivirus / Flavivirus polyprotein propeptide / Flavivirus polyprotein propeptide superfamily / Flavivirus polyprotein propeptide / Flaviviral glycoprotein E, central domain, subdomain 1 / Flaviviral glycoprotein E, central domain, subdomain 2 / Flavivirus envelope glycoprotein E, Stem/Anchor domain / Flavivirus glycoprotein E, immunoglobulin-like domain / Flavivirus envelope glycoprotein E, Stem/Anchor domain superfamily / Flavivirus glycoprotein, immunoglobulin-like domain / Flavivirus glycoprotein central and dimerisation domain / Flavivirus glycoprotein, central and dimerisation domains / Ribosomal RNA methyltransferase, FtsJ domain / FtsJ-like methyltransferase / Flavivirus/Alphavirus glycoprotein, immunoglobulin-like domain superfamily / Flavivirus glycoprotein, central and dimerisation domain superfamily / Flaviviral glycoprotein E, dimerisation domain / DEAD box, Flavivirus / Flavivirus DEAD domain / helicase superfamily c-terminal domain / Immunoglobulin E-set / Trypsin-like serine proteases / Superfamilies 1 and 2 helicase C-terminal domain profile. / Superfamilies 1 and 2 helicase ATP-binding type-1 domain profile. / DEAD-like helicases superfamily / Helicase, C-terminal / Helicase superfamily 1/2, ATP-binding domain / Thrombin, subunit H / RNA-directed RNA polymerase, catalytic domain / RdRp of positive ssRNA viruses catalytic domain profile. / S-adenosyl-L-methionine-dependent methyltransferase superfamily / Peptidase S1, PA clan / DNA/RNA polymerase superfamily / Beta Barrel / P-loop containing nucleoside triphosphate hydrolase / Mainly Beta
Similarity search - Domain/homology
N2-[4-(carbamimidamidomethyl)phenyl]acetyl-D-lysyl-L-lysyl-D-arginine / Genome polyprotein / Genome polyprotein
Similarity search - Component
Biological speciesZika virus
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å
AuthorsPhoo, W.W. / Wirawan, M.
Funding support Singapore, Germany, 5items
OrganizationGrant numberCountry
start up grant Singapore
CBRG15May045 Singapore
NRF2016NRF-CRP001-063 Singapore
Ministry of Education (Singapore)MOE2016-T2-2-097 Singapore
DZIF-TTU 01.902 Germany
CitationJournal: Antiviral Res. / Year: 2018
Title: Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Authors: Phoo, W.W. / Zhang, Z. / Wirawan, M. / Chew, E.J.C. / Chew, A.B.L. / Kouretova, J. / Steinmetzer, T. / Luo, D.
History
DepositionApr 5, 2018Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Oct 17, 2018Provider: repository / Type: Initial release
Revision 1.1Oct 31, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.journal_id_ISSN / _citation.journal_volume ..._citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.2Nov 22, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Serine protease subunit NS2B
B: NS3 protease
D: Serine protease subunit NS2B
E: NS3 protease
G: Serine protease subunit NS2B
H: NS3 protease
J: Serine protease subunit NS2B
K: NS3 protease
F: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
I: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H


Theoretical massNumber of molelcules
Total (without water)100,82310
Polymers100,82310
Non-polymers00
Water7,566420
1
A: Serine protease subunit NS2B
B: NS3 protease
F: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H


Theoretical massNumber of molelcules
Total (without water)25,5093
Polymers25,5093
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Serine protease subunit NS2B
E: NS3 protease
I: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H


Theoretical massNumber of molelcules
Total (without water)25,5093
Polymers25,5093
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: Serine protease subunit NS2B
H: NS3 protease


Theoretical massNumber of molelcules
Total (without water)24,9032
Polymers24,9032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
J: Serine protease subunit NS2B
K: NS3 protease


Theoretical massNumber of molelcules
Total (without water)24,9032
Polymers24,9032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
A: Serine protease subunit NS2B
B: NS3 protease


Theoretical massNumber of molelcules
Total (without water)24,9032
Polymers24,9032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3880 Å2
ΔGint-22 kcal/mol
Surface area9260 Å2
MethodPISA
6
D: Serine protease subunit NS2B
E: NS3 protease


Theoretical massNumber of molelcules
Total (without water)24,9032
Polymers24,9032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3890 Å2
ΔGint-25 kcal/mol
Surface area9310 Å2
MethodPISA
7
G: Serine protease subunit NS2B
H: NS3 protease


Theoretical massNumber of molelcules
Total (without water)24,9032
Polymers24,9032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3910 Å2
ΔGint-26 kcal/mol
Surface area9270 Å2
MethodPISA
8
J: Serine protease subunit NS2B
K: NS3 protease


Theoretical massNumber of molelcules
Total (without water)24,9032
Polymers24,9032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4060 Å2
ΔGint-27 kcal/mol
Surface area9370 Å2
MethodPISA
Unit cell
Length a, b, c (Å)60.330, 60.350, 214.680
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein
Serine protease subunit NS2B /


Mass: 5865.384 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Zika virus / Strain: Mr 766 / Production host: Escherichia coli (E. coli)
References: UniProt: Q32ZE1, flavivirin, nucleoside-triphosphate phosphatase, RNA helicase
#2: Protein
NS3 protease


Mass: 19037.592 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Zika virus (strain Mr 766) / Strain: Mr 766 / Production host: Escherichia coli (E. coli) / References: UniProt: H8XX12, UniProt: Q32ZE1*PLUS
#3: Protein/peptide 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H


Type: Peptide-like / Class: Enzyme inhibitor / Mass: 605.776 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
References: N2-[4-(carbamimidamidomethyl)phenyl]acetyl-D-lysyl-L-lysyl-D-arginine
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 420 / Source method: isolated from a natural source / Formula: H2O

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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: 1.96 Å3/Da / Density % sol: 37.3 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 4.6
Details: 2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Sep 1, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.8→27.42 Å / Num. obs: 73611 / % possible obs: 99.8 % / Redundancy: 4.7 % / Biso Wilson estimate: 28.5 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.044 / Rpim(I) all: 0.053 / Rrim(I) all: 0.117 / Net I/σ(I): 8.8
Reflection shellResolution: 1.8→1.9 Å / Redundancy: 4.1 % / Rmerge(I) obs: 1.159 / Mean I/σ(I) obs: 1.1 / Num. unique obs: 10600 / CC1/2: 0.419 / Rpim(I) all: 0.635 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.9_1692refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5GPI

5gpi


Resolution: 1.8→27.416 Å / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.78
RfactorNum. reflection% reflectionSelection details
Rfree0.2523 3610 4.91 %Random selection
Rwork0.2043 ---
obs0.2112 73526 99.76 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 31.46 Å2
Refinement stepCycle: LAST / Resolution: 1.8→27.416 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5708 0 88 420 6216
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0035908
X-RAY DIFFRACTIONf_angle_d0.668032
X-RAY DIFFRACTIONf_dihedral_angle_d11.8712134
X-RAY DIFFRACTIONf_chiral_restr0.029892
X-RAY DIFFRACTIONf_plane_restr0.0021050
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.8002-1.83130.3231690.31953468X-RAY DIFFRACTION95
1.8313-1.86460.33472010.33213389X-RAY DIFFRACTION94
1.8646-1.90040.31631590.31253485X-RAY DIFFRACTION95
1.9004-1.93920.29831730.32143399X-RAY DIFFRACTION94
1.9392-1.98130.33281660.28963466X-RAY DIFFRACTION95
1.9813-2.02740.30582030.27993441X-RAY DIFFRACTION94
2.0274-2.07810.27692070.28363447X-RAY DIFFRACTION94
2.0781-2.13420.32632040.2713398X-RAY DIFFRACTION94
2.1342-2.1970.26411890.26423459X-RAY DIFFRACTION95
2.197-2.26790.28731600.26123476X-RAY DIFFRACTION96
2.2679-2.34890.29811790.24833481X-RAY DIFFRACTION95
2.3489-2.44280.2871660.24663518X-RAY DIFFRACTION95
2.4428-2.55390.26861810.24293455X-RAY DIFFRACTION95
2.5539-2.68840.24771830.23063474X-RAY DIFFRACTION94
2.6884-2.85660.33811590.22073537X-RAY DIFFRACTION95
2.8566-3.07670.26631790.20333508X-RAY DIFFRACTION95
3.0767-3.38570.2481830.18943555X-RAY DIFFRACTION95
3.3857-3.87390.23941870.1743532X-RAY DIFFRACTION95
3.8739-4.87440.19221800.13993600X-RAY DIFFRACTION95
4.8744-24.52250.20621750.15263790X-RAY DIFFRACTION96
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.63620.4604-0.58531.058-0.05991.36410.04410.24160.2223-0.0696-0.0044-0.1431-0.01270.2332-0.03790.13080.05930.08280.4733-0.01080.50214.829623.0402-13.8168
22.35920.3142-0.45520.5365-0.34120.63740.3288-0.566-0.03730.259-0.24540.014-0.05370.1305-0.07330.1376-0.0279-0.01250.3195-0.03160.37151.483613.09442.9344
30.8330.5019-0.11040.83610.31810.91750.21140.0474-0.0849-0.1564-0.08380.3498-0.0211-0.2477-0.12730.13660.0544-0.05160.2932-0.01090.3844-15.176724.3547-13.7027
42.73920.29920.33651.7953-2.02082.44420.1090.3245-0.1589-0.3922-0.1658-0.7544-0.02420.61250.05290.1224-0.05430.07440.3963-0.04540.408612.842716.2737-9.6062
51.1892-0.71250.34670.63960.36591.6506-0.07460.16710.1444-0.32650.0815-0.5616-0.24140.525-0.0440.1418-0.01980.0940.38970.05320.370510.918924.3411-11.2388
60.8812-1.06830.28331.54240.09180.93710.06110.0775-0.0085-0.1632-0.1557-0.2754-0.03080.1750.09160.1066-0.00390.03540.2494-0.03810.29674.581417.3363-16.7669
72.4319-0.32.2482.6874-0.51785.30750.20351.03060.3106-0.260.0057-0.6474-0.52021.0836-0.19610.3741-0.11030.16340.5259-0.00840.41314.582819.7901-20.0709
80.705-0.154-0.33580.75580.09631.28010.04170.0243-0.168-0.1542-0.09640.18450.0219-0.00670.06460.0906-0.0006-0.02330.23720.00390.2844-2.004412.4263-16.4279
90.7441-0.1862-0.32650.4861-0.15220.3181-0.0399-0.14020.0084-0.0460.01950.00860.0299-0.1042-0.0119-0.08820.0178-0.00960.233-0.04530.3936-5.563219.3268-5.1308
102.0461-0.0910.06660.0542-0.15970.6933-0.05060.0911-0.2305-0.03240.00620.03470.06480.14810.04050.0515-0.00120.01070.2583-0.0390.325-4.874411.6316-14.8081
111.08470.6402-1.13231.6993-0.45091.2155-0.11020.11830.046-0.07620.0773-0.35870.1255-0.06820.06350.1132-0.02610.02090.2613-0.04850.32163.550643.70613.6114
120.9460.43141.03011.7239-0.4084.76550.0692-0.07590.05130.0527-0.09280.28280.1627-0.44970.01640.1677-0.0616-0.02290.2543-0.02540.2591-18.300437.431111.2391
131.37880.6384-0.46120.88890.16441.46380.0204-0.0802-0.06170.21270.0017-0.40070.07490.4201-0.01180.1071-0.0096-0.04040.2688-0.00630.31244.411440.277915.3063
141.72840.64341.04181.547-0.01372.1993-0.0150.04790.01080.0349-0.01330.1026-0.0939-0.08250.04610.0931-0.01250.00920.1767-0.02150.2786-10.183843.2997.4245
154.432-2.94130.51753.9948-1.72461.119-0.2529-0.370.12390.24050.2652-0.11280.37650.48150.01180.31050.0723-0.03670.32480.03590.31620.136935.969549.2038
162.28570.39580.39611.7949-0.16531.8359-0.0316-0.23310.23760.340.1785-0.3581-0.16140.4545-0.21460.24970.0002-0.0820.3149-0.05140.32816.451258.008342.9124
172.84240.16681.3212.0885-0.79271.0956-0.0432-0.0813-0.5909-0.06010.0377-0.27210.87960.14680.01310.57650.08210.01950.26050.01170.29512.767734.902937.9707
180.83070.1866-0.39150.8647-0.34631.417-0.0427-0.1789-0.00950.2436-0.0211-0.0999-0.08830.03920.07370.3444-0.0089-0.05460.27040.03020.2442-1.743445.44843.8684
192.22960.885-0.73081.63730.56160.9560.0172-0.19530.03150.0386-0.0032-0.0252-0.06460.1824-0.01150.39680.0196-0.08790.26150.01120.25692.097151.796146.1155
202.6518-0.5788-0.5842.1456-0.23680.5015-0.0206-0.0096-0.38160.34710.0768-0.4369-0.03480.2424-0.0510.48910.0527-0.20250.3734-0.07990.3977-21.37610.81839.713
214.99390.41751.33922.0821.51271.31720.3458-0.8504-0.01390.23270.0649-0.0875-0.0309-0.4178-0.41381.07780.06050.08720.43350.0280.3006-34.060710.395255.228
220.1367-0.0731-0.23020.17180.07810.40060.0323-0.12170.0451-0.00490.0836-0.0718-0.14650.0019-0.10381.0983-0.0195-0.17520.6441-0.13190.3339-26.344928.104454.6792
231.34430.18480.09444.0241.23822.6645-0.01530.22570.38390.72180.256-0.4790.1580.394-0.22390.4376-0.0559-0.12480.39880.02860.4056-20.913629.777935.1498
242.7544-0.57861.54260.8731-0.16651.7848-0.01630.0277-0.33170.30080.002-0.13920.32540.13270.01970.42040.0253-0.03140.2497-0.01230.2487-25.82436.946237.625
251.38170.5294-0.40181.32170.14270.34940.1756-0.26350.15180.6027-0.0568-0.0624-0.31070.0086-0.11090.76240.0207-0.07460.29860.00410.2558-29.040720.60146.6741
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 50 through 54 )
2X-RAY DIFFRACTION2chain 'A' and (resid 55 through 69 )
3X-RAY DIFFRACTION3chain 'A' and (resid 70 through 87 )
4X-RAY DIFFRACTION4chain 'B' and (resid 16 through 27 )
5X-RAY DIFFRACTION5chain 'B' and (resid 28 through 42 )
6X-RAY DIFFRACTION6chain 'B' and (resid 43 through 53 )
7X-RAY DIFFRACTION7chain 'B' and (resid 54 through 66 )
8X-RAY DIFFRACTION8chain 'B' and (resid 67 through 94 )
9X-RAY DIFFRACTION9chain 'B' and (resid 95 through 163 )
10X-RAY DIFFRACTION10chain 'B' and (resid 164 through 170 )
11X-RAY DIFFRACTION11chain 'D' and (resid 50 through 64 )
12X-RAY DIFFRACTION12chain 'D' and (resid 65 through 87 )
13X-RAY DIFFRACTION13chain 'E' and (resid 16 through 79 )
14X-RAY DIFFRACTION14chain 'E' and (resid 80 through 170 )
15X-RAY DIFFRACTION15chain 'G' and (resid 50 through 64 )
16X-RAY DIFFRACTION16chain 'G' and (resid 65 through 87 )
17X-RAY DIFFRACTION17chain 'H' and (resid 16 through 71 )
18X-RAY DIFFRACTION18chain 'H' and (resid 72 through 106 )
19X-RAY DIFFRACTION19chain 'H' and (resid 107 through 170 )
20X-RAY DIFFRACTION20chain 'J' and (resid 50 through 54 )
21X-RAY DIFFRACTION21chain 'J' and (resid 55 through 64 )
22X-RAY DIFFRACTION22chain 'J' and (resid 65 through 74 )
23X-RAY DIFFRACTION23chain 'J' and (resid 75 through 87 )
24X-RAY DIFFRACTION24chain 'K' and (resid 16 through 79 )
25X-RAY DIFFRACTION25chain 'K' and (resid 80 through 170 )

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