+Open data
-Basic information
Entry | Database: PDB / ID: 1pro | ||||||
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Title | HIV-1 PROTEASE DIMER COMPLEXED WITH A-98881 | ||||||
Components | HIV-1 PROTEASE | ||||||
Keywords | HYDROLASE (ASPARTIC PROTEASE) / AIDS / POLYPROTEIN / HYDROLASE / ASPARTIC PROTEASE / ENDONUCLEASE / RNA-DIRECTED DNA POLYMERASE | ||||||
Function / homology | Function and homology information HIV-1 retropepsin / symbiont-mediated activation of host apoptosis / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / host multivesicular body / DNA integration / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency ...HIV-1 retropepsin / symbiont-mediated activation of host apoptosis / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / host multivesicular body / DNA integration / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency / symbiont-mediated suppression of host gene expression / viral penetration into host nucleus / RNA stem-loop binding / RNA-directed DNA polymerase activity / RNA-DNA hybrid ribonuclease activity / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / host cell / viral nucleocapsid / DNA recombination / DNA-directed DNA polymerase / Hydrolases; Acting on ester bonds / aspartic-type endopeptidase activity / DNA-directed DNA polymerase activity / symbiont entry into host cell / lipid binding / host cell nucleus / host cell plasma membrane / structural molecule activity / virion membrane / proteolysis / DNA binding / zinc ion binding / membrane Similarity search - Function | ||||||
Biological species | Human immunodeficiency virus 1 | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.8 Å | ||||||
Authors | Park, C.H. / Kong, X.P. / Dealwis, C.G. | ||||||
Citation | Journal: J.Med.Chem. / Year: 1996 Title: A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease. Authors: Sham, H.L. / Zhao, C. / Stewart, K.D. / Betebenner, D.A. / Lin, S. / Park, C.H. / Kong, X.P. / Rosenbrook Jr., W. / Herrin, T. / Madigan, D. / Vasavanonda, S. / Lyons, N. / Molla, A. / ...Authors: Sham, H.L. / Zhao, C. / Stewart, K.D. / Betebenner, D.A. / Lin, S. / Park, C.H. / Kong, X.P. / Rosenbrook Jr., W. / Herrin, T. / Madigan, D. / Vasavanonda, S. / Lyons, N. / Molla, A. / Saldivar, A. / Marsh, K.C. / McDonald, E. / Wideburg, N.E. / Denissen, J.F. / Robins, T. / Kempf, D.J. / Plattner, J.J. / Norbeck, D.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1pro.cif.gz | 51.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1pro.ent.gz | 36.8 KB | Display | PDB format |
PDBx/mmJSON format | 1pro.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1pro_validation.pdf.gz | 470.7 KB | Display | wwPDB validaton report |
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Full document | 1pro_full_validation.pdf.gz | 474.8 KB | Display | |
Data in XML | 1pro_validation.xml.gz | 6.2 KB | Display | |
Data in CIF | 1pro_validation.cif.gz | 9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/pr/1pro ftp://data.pdbj.org/pub/pdb/validation_reports/pr/1pro | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 10830.781 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus 1 / Genus: Lentivirus / Strain: SCS-1 / Production host: Escherichia coli (E. coli) / Strain (production host): SCS-1/PBS7-CI / References: UniProt: P12499, HIV-1 retropepsin #2: Chemical | ChemComp-A88 / ( | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44 % | ||||||||||||||||||||||||||||||
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Crystal | *PLUS | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5.4 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction source | Wavelength: 1.5418 |
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Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Feb 19, 1994 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Num. obs: 16426 / % possible obs: 93 % / Observed criterion σ(I): 2 / Redundancy: 4.7 % / Rmerge(I) obs: 0.0496 |
Reflection | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 33 Å / Rmerge(I) obs: 0.05 |
Reflection shell | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 2 Å / % possible obs: 85 % |
-Processing
Software |
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Refinement | Resolution: 1.8→10 Å / σ(F): 2
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Displacement parameters | Biso mean: 28.7 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.18 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→10 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.201 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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