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Yorodumi- PDB-6onf: Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in co... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6onf | ||||||||||||
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Title | Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-188-A02. | ||||||||||||
Components | clade A/E 93TH057 HIV-1 gp120 core | ||||||||||||
Keywords | viral protein/inhibitor / HIV-1 gp120 / CLADE A/E CF01 / viral protein / viral protein-inhibitor complex | ||||||||||||
Function / homology | Gp120 core superfamily / Envelope glycoprotein GP120 / Human immunodeficiency virus 1, envelope glycoprotein Gp120 / viral envelope / Chem-MW4 / clade A/E 93TH057 HIV-1 gp120 core Function and homology information | ||||||||||||
Biological species | Human immunodeficiency virus 1 | ||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.842 Å | ||||||||||||
Authors | Tolbert, W.D. / Sherburn, R. / Pazgier, M. | ||||||||||||
Funding support | United States, 3items
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Citation | Journal: J.Virol. / Year: 2019 Title: A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity. Authors: Ding, S. / Grenier, M.C. / Tolbert, W.D. / Vezina, D. / Sherburn, R. / Richard, J. / Prevost, J. / Chapleau, J.P. / Gendron-Lepage, G. / Medjahed, H. / Abrams, C. / Sodroski, J. / Pazgier, M. ...Authors: Ding, S. / Grenier, M.C. / Tolbert, W.D. / Vezina, D. / Sherburn, R. / Richard, J. / Prevost, J. / Chapleau, J.P. / Gendron-Lepage, G. / Medjahed, H. / Abrams, C. / Sodroski, J. / Pazgier, M. / Smith 3rd, A.B. / Finzi, A. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6onf.cif.gz | 94.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6onf.ent.gz | 68.8 KB | Display | PDB format |
PDBx/mmJSON format | 6onf.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6onf_validation.pdf.gz | 954.6 KB | Display | wwPDB validaton report |
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Full document | 6onf_full_validation.pdf.gz | 961.9 KB | Display | |
Data in XML | 6onf_validation.xml.gz | 18.4 KB | Display | |
Data in CIF | 6onf_validation.cif.gz | 26.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/on/6onf ftp://data.pdbj.org/pub/pdb/validation_reports/on/6onf | HTTPS FTP |
-Related structure data
Related structure data | 6oneC 6onhC 6onvC 6p9nC 3tgtS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 39466.750 Da / Num. of mol.: 1 / Mutation: H61Y, Q105H, V108I, H375T, N474D, I475M, K476R Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: HIV-1 Env / Cell (production host): HEK GnT1- / Production host: Homo sapiens (human) / References: UniProt: A0A0M3KKW9 | ||||||
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#2: Sugar | ChemComp-NAG / #3: Chemical | ChemComp-MW4 / | #4: Chemical | ChemComp-EPE / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.43 Å3/Da / Density % sol: 49.48 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 10% PEG 1500 5% PEG 400 0.1 M HEPES pH 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-1 / Wavelength: 0.92 Å |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Aug 14, 2018 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92 Å / Relative weight: 1 |
Reflection | Resolution: 1.84→50 Å / Num. obs: 29710 / % possible obs: 88.5 % / Redundancy: 2.4 % / CC1/2: 0.99 / Rpim(I) all: 0.052 / Rsym value: 0.07 / Net I/σ(I): 6.9 |
Reflection shell | Resolution: 1.84→1.94 Å / Redundancy: 2.3 % / Mean I/σ(I) obs: 1.3 / Num. unique obs: 10324 / CC1/2: 0.69 / Rpim(I) all: 0.435 / Rsym value: 0.554 / % possible all: 93.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3TGT Resolution: 1.842→50 Å / SU ML: 0.22 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 24.91
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.842→50 Å
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Refine LS restraints |
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LS refinement shell |
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