+Open data
-Basic information
Entry | Database: PDB / ID: 7qdf | |||||||||||||||||||||
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Title | Hexameric HIV-1 (M-group) CA R120 mutant | |||||||||||||||||||||
Components | Gag polyproteinGroup-specific antigen | |||||||||||||||||||||
Keywords | VIRAL PROTEIN / HIV-1 CAPSID PROTEIN / HEXAMER / R120 MUTANT | |||||||||||||||||||||
Function / homology | Function and homology information viral budding via host ESCRT complex / ISG15 antiviral mechanism / host multivesicular body / viral nucleocapsid / host cell nucleus / host cell plasma membrane / virion membrane / structural molecule activity / RNA binding / zinc ion binding / membrane Similarity search - Function | |||||||||||||||||||||
Biological species | Human immunodeficiency virus type 1 group M subtype B | |||||||||||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.304 Å | |||||||||||||||||||||
Authors | Govasli, M.A.L. / Pinotsis, N. / McAlpine-Scott, S. | |||||||||||||||||||||
Funding support | Australia, United Kingdom, European Union, 6items
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Citation | Journal: Nat Microbiol / Year: 2022 Title: Evasion of cGAS and TRIM5 defines pandemic HIV. Authors: Zuliani-Alvarez, L. / Govasli, M.L. / Rasaiyaah, J. / Monit, C. / Perry, S.O. / Sumner, R.P. / McAlpine-Scott, S. / Dickson, C. / Rifat Faysal, K.M. / Hilditch, L. / Miles, R.J. / Bibollet- ...Authors: Zuliani-Alvarez, L. / Govasli, M.L. / Rasaiyaah, J. / Monit, C. / Perry, S.O. / Sumner, R.P. / McAlpine-Scott, S. / Dickson, C. / Rifat Faysal, K.M. / Hilditch, L. / Miles, R.J. / Bibollet-Ruche, F. / Hahn, B.H. / Boecking, T. / Pinotsis, N. / James, L.C. / Jacques, D.A. / Towers, G.J. | |||||||||||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7qdf.cif.gz | 100.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7qdf.ent.gz | Display | PDB format | |
PDBx/mmJSON format | 7qdf.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qd/7qdf ftp://data.pdbj.org/pub/pdb/validation_reports/qd/7qdf | HTTPS FTP |
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-Related structure data
Related structure data | 7t12C 7t13C 7t14C 7t15C 8d3bC 4xfxS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 25787.621 Da / Num. of mol.: 1 / Mutation: R120 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus type 1 group M subtype B (isolate NY5) Strain: isolate NY5 / Gene: gag / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): C41 / References: UniProt: P12493 | ||||||||
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#2: Chemical | #3: Chemical | ChemComp-CL / #4: Chemical | ChemComp-BME / | #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.75 Å3/Da / Density % sol: 55.23 % / Description: hexagonal plates |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 9.5% PEG 3350 (v/v), 310 mM NaI, 100 mM Sodium Cacodylate. Crystals grew in 1 uL protein (3 mg/mL) + 1 uL crystallant. Cryoprotected in 20% (v/v) Glycerol. |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X13 / Wavelength: 1.0332 Å | ||||||||||||||||||
Detector | Type: DECTRIS EIGER R 4M / Detector: PIXEL / Date: Oct 31, 2020 | ||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||
Radiation wavelength | Wavelength: 1.0332 Å / Relative weight: 1 | ||||||||||||||||||
Reflection twin |
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Reflection | Resolution: 2.304→79.98 Å / Num. obs: 12346 / % possible obs: 98.4 % / Redundancy: 3.9 % / CC1/2: 0.997 / Rrim(I) all: 0.071 / Net I/σ(I): 10.76 | ||||||||||||||||||
Reflection shell | Resolution: 2.304→2.44 Å / Mean I/σ(I) obs: 1 / Num. unique obs: 1951 / CC1/2: 0.503 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4XFX Resolution: 2.304→46.656 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.932 / SU B: 16.695 / SU ML: 0.24 / Cross valid method: FREE R-VALUE / ESU R: 0.075 / ESU R Free: 0.054 / Details: Hydrogens have not been used
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Solvent computation | Ion probe radii: 0.9 Å / Shrinkage radii: 0.9 Å / VDW probe radii: 1 Å / Solvent model: BABINET MODEL PLUS MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 93.332 Å2
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Refinement step | Cycle: LAST / Resolution: 2.304→46.656 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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