+Open data
-Basic information
Entry | Database: PDB / ID: 6w6t | |||||||||
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Title | WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6) | |||||||||
Components | Protease | |||||||||
Keywords | HYDROLASE/HYDROLASE INHIBITOR / HIV / PROTEASE / PROTEASE INHIBITOR / COMPLEX / HYDROLASE INHIBITOR COMPLEX / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | Human immunodeficiency virus 1 | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.84 Å | |||||||||
Authors | Lockbaum, G.J. / Henes, M. / Kosovrasti, K. / Nalivaika, E.A. / Ali, A. / KurtYilmaz, N. / Schiffer, C.A. | |||||||||
Funding support | United States, 1items
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Citation | Journal: To Be Published Title: To Be Determined Authors: Lockbaum, G.J. / Henes, M. / Kosovrasti, K. / Nalivaika, E.A. / Ali, A. / KurtYilmaz, N. / Schiffer, C.A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6w6t.cif.gz | 91.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6w6t.ent.gz | 69.1 KB | Display | PDB format |
PDBx/mmJSON format | 6w6t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/w6/6w6t ftp://data.pdbj.org/pub/pdb/validation_reports/w6/6w6t | HTTPS FTP |
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-Related structure data
Related structure data | 6auaC 6aubC 6w6qC 6w6rC 6w6sC 6dgxS 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: 10831.833 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: pol / Details (production host): pXC35 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8ULI9 #2: Chemical | #3: Chemical | ChemComp-TK7 / | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.11 Å3/Da / Density % sol: 41.7 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.54178 Å |
Detector | Type: RIGAKU SATURN 944 / Detector: CCD / Date: Mar 23, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54178 Å / Relative weight: 1 |
Reflection | Resolution: 1.84→21.9 Å / Num. obs: 16226 / % possible obs: 98.4 % / Redundancy: 6.4 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 22.7 |
Reflection shell | Resolution: 1.84→1.91 Å / Rmerge(I) obs: 0.29 / Num. unique obs: 1420 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6DGX Resolution: 1.84→21.9 Å / SU ML: 0.15 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 22.69
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.84→21.9 Å
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Refine LS restraints |
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LS refinement shell |
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