+Open data
-Basic information
Entry | Database: PDB / ID: 1hpx | ||||||
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Title | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 | ||||||
Components | HIV-1 PROTEASE | ||||||
Keywords | HYDROLASE/HYDROLASE INHIBITOR / ACID PROTEASE / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex | ||||||
Function / homology | Function and homology information HIV-1 retropepsin / 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 / viral penetration into host nucleus ...HIV-1 retropepsin / 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 / viral penetration into host nucleus / RNA stem-loop binding / RNA-directed DNA polymerase activity / host cell / RNA-DNA hybrid ribonuclease activity / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / symbiont-mediated suppression of host gene expression / 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: 2 Å | ||||||
Authors | Bhat, T.N. / Erickson, J.W. | ||||||
Citation | Journal: Structure / Year: 1995 Title: Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine. Authors: Baldwin, E.T. / Bhat, T.N. / Gulnik, S. / Liu, B. / Topol, I.A. / Kiso, Y. / Mimoto, T. / Mitsuya, H. / Erickson, J.W. #1: Journal: Nat.Struct.Biol. / Year: 1994 Title: Crystal Structure of a Tethered Dimer of HIV-1 Proteinase Complexed with an Inhibitor Authors: Bhat, T.N. / Baldwin, E.T. / Liu, B. / Cheng, Y.-S.E. / Erickson, J.W. #2: Journal: Annu.Rev.Biochem. / Year: 1993 Title: Structure-Based Inhibitors of HIV-1 Protease Authors: Wlodawer, A. / Erickson, J.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1hpx.cif.gz | 52.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1hpx.ent.gz | 37.1 KB | Display | PDB format |
PDBx/mmJSON format | 1hpx.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1hpx_validation.pdf.gz | 462.1 KB | Display | wwPDB validaton report |
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Full document | 1hpx_full_validation.pdf.gz | 461.2 KB | Display | |
Data in XML | 1hpx_validation.xml.gz | 5.7 KB | Display | |
Data in CIF | 1hpx_validation.cif.gz | 8.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hp/1hpx ftp://data.pdbj.org/pub/pdb/validation_reports/hp/1hpx | 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: 10803.756 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus 1 / Genus: Lentivirus / Strain: HIVLAI / Production host: Escherichia coli (E. coli) / References: UniProt: P03367 #2: Chemical | ChemComp-KNI / ( | #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: 2.21 Å3/Da / Density % sol: 44.34 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 5.6 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Detector | Type: RIGAKU / Detector: IMAGE PLATE |
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Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Highest resolution: 2 Å / Num. obs: 9665 / % possible obs: 86 % / Redundancy: 3.6 % / Rmerge(I) obs: 0.065 |
Reflection | *PLUS Highest resolution: 2 Å / Lowest resolution: 7 Å / Num. measured all: 34769 / Rmerge(I) obs: 0.065 |
-Processing
Software |
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Refinement | Resolution: 2→7 Å / σ(F): 2
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Refine analyze | Luzzati coordinate error obs: 0.01 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→7 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |