+Open data
-Basic information
Entry | Database: PDB / ID: 1tcw | ||||||
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Title | SIV PROTEASE COMPLEXED WITH INHIBITOR SB203386 | ||||||
Components | SIV PROTEASE | ||||||
Keywords | HYDROLASE (ACID PROTEASE) / AIDS / POLYPROTEIN / HYDROLASE / ASPARTYL PROTEASE / ENDONUCLEASE / RNA-DIRECTED DNA POLYMERASE / ACID PROTEASE | ||||||
Function / homology | Function and homology information HIV-1 retropepsin / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / DNA integration / RNA-directed DNA polymerase / viral genome integration into host DNA / viral penetration into host nucleus / establishment of integrated proviral latency / RNA-directed DNA polymerase activity ...HIV-1 retropepsin / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / DNA integration / RNA-directed DNA polymerase / viral genome integration into host DNA / viral penetration into host nucleus / establishment of integrated proviral latency / RNA-directed DNA polymerase activity / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / RNA-DNA hybrid ribonuclease activity / viral nucleocapsid / DNA recombination / host cell cytoplasm / Hydrolases; Acting on ester bonds / DNA-directed DNA polymerase / aspartic-type endopeptidase activity / DNA-directed DNA polymerase activity / symbiont entry into host cell / symbiont-mediated suppression of host gene expression / host cell nucleus / host cell plasma membrane / structural molecule activity / proteolysis / DNA binding / RNA binding / zinc ion binding / membrane Similarity search - Function | ||||||
Biological species | Simian immunodeficiency virus | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.4 Å | ||||||
Authors | Hoog, S.S. / Abdel-Meguid, S.S. | ||||||
Citation | Journal: Biochemistry / Year: 1996 Title: Human immunodeficiency virus protease ligand specificity conferred by residues outside of the active site cavity. Authors: Hoog, S.S. / Towler, E.M. / Zhao, B. / Doyle, M.L. / Debouck, C. / Abdel-Meguid, S.S. #1: Journal: Biochemistry / Year: 1994 Title: An Orally Bioavailable HIV-1 Protease Inhibitor Containing an Imidazole-Derived Peptide Bond Replacement: Crystallographic and Pharmacokinetic Analysis Authors: Abdel-Meguid, S.S. / Metcalf, B.W. / Carr, T.J. / Demarsh, P. / Desjarlais, R.L. / Fisher, S. / Green, D.W. / Ivanoff, L. / Lambert, D.M. / Murthy, K.H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1tcw.cif.gz | 51.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1tcw.ent.gz | 37.5 KB | Display | PDB format |
PDBx/mmJSON format | 1tcw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tc/1tcw ftp://data.pdbj.org/pub/pdb/validation_reports/tc/1tcw | HTTPS FTP |
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-Related 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: 10725.448 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Simian immunodeficiency virus / Genus: Lentivirus / Gene: SIV PROTEASE / Gene (production host): SIV PROTEASE / Production host: Escherichia coli (E. coli) / Strain (production host): MAC251 ISOLATE References: UniProt: Q07387, UniProt: P05896*PLUS, HIV-1 retropepsin #2: Chemical | #3: Water | ChemComp-HOH / | Nonpolymer details | SB203386 BINDS IN THE ACTIVE SITE CAVITY IN AN UNEXPECTED MODE SHOWING TWO INHIBITOR MOLECULES EACH ...SB203386 BINDS IN THE ACTIVE SITE CAVITY IN AN UNEXPECTED | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.84 Å3/Da / Density % sol: 56.68 % | ||||||||||||||||||
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Crystal grow | *PLUS pH: 4.2 / 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: SIEMENS / Date: 1993 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Num. obs: 10269 / % possible obs: 93 % / Rmerge(I) obs: 0.074 |
Reflection | *PLUS Highest resolution: 2.4 Å |
-Processing
Software |
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Refinement | Resolution: 2.4→7 Å / σ(F): 3
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Displacement parameters | Biso mean: 12.5 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.25 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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