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Yorodumi- PDB-1hsg: CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFI... -
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-Basic information
Entry | Database: PDB / ID: 1hsg | ||||||
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Title | CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES | ||||||
Components | HIV-1 PROTEASE | ||||||
Keywords | HYDROLASE (ACID PROTEINASE) | ||||||
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 | Chen, Z. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 1994 Title: Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases. Authors: Chen, Z. / Li, Y. / Chen, E. / Hall, D.L. / Darke, P.L. / Culberson, C. / Shafer, J.A. / Kuo, L.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1hsg.cif.gz | 53.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1hsg.ent.gz | 38.5 KB | Display | PDB format |
PDBx/mmJSON format | 1hsg.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1hsg_validation.pdf.gz | 482.6 KB | Display | wwPDB validaton report |
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Full document | 1hsg_full_validation.pdf.gz | 486 KB | Display | |
Data in XML | 1hsg_validation.xml.gz | 6.3 KB | Display | |
Data in CIF | 1hsg_validation.cif.gz | 9.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hs/1hsg ftp://data.pdbj.org/pub/pdb/validation_reports/hs/1hsg | HTTPS FTP |
-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: 10803.756 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: NY5 ISOLATE / Source: (gene. exp.) Human immunodeficiency virus 1 / Genus: Lentivirus / Gene: HIV-1 PROTEASE FROM THE NY5 ISOLATE / Production host: Escherichia coli (E. coli) References: UniProt: P03367, Hydrolases; Acting on peptide bonds (peptidases); Aspartic endopeptidases #2: Chemical | ChemComp-MK1 / | #3: Water | ChemComp-HOH / | Nonpolymer details | L-735,524 IS N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)- TERTIARY- BUTYLAMINOCARBONYL)-4(3- ...L-735,524 IS N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)- TERTIARY- BUTYLAMINO | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.8 Å3/Da / Density % sol: 56.1 % | ||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 4 ℃ / pH: 7.5 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 1.9 Å / Num. obs: 25153 / % possible obs: 80 % / Num. measured all: 58752 / Rmerge(I) obs: 0.0608 |
-Processing
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Refinement | Rfactor Rwork: 0.166 / Rfactor obs: 0.166 / Highest resolution: 2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 2 Å
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Refine LS restraints |
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Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |