Brand  (β version)

PDB ID: 3TH9

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Ligands
Code Name Style Show Link
9Y9 Tert-butyl {(2s,3r)-4-[(4s)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate PoSSuM
Non-standard Residues
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Structure summary

Code : 3TH9   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal Structure of HIV-1 Protease Mutant Q7K V32I L63I with a cyclic sulfonamide inhibitor
Release Data : 2011-09-28
Compound :
mol_id molecule chains synonym
1 Gag-Pol polyprotein A,B Protease
ec: 3.4.23.16
fragment: HIV protease
mutation: Q7K V32I L63I
Source :
mol_id organism_scientific organism_common expression_system
1 Human immunodeficiency virus type 1 lw12.3 isolate  (taxid:82834) HIV-1 Escherichia coli  (taxid:562)
gene: gag-pol
Authors : Orth, P.
Keywords : enzyme inhibition, aspartic protease, HIV/AIDS, conformational change, Amprenavir, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.3400 Å )
Citation :

Design, Synthesis, and X-ray Crystallographic Analysis of a Novel Class of HIV-1 Protease Inhibitors.

Ganguly, A.K.,Alluri, S.S.,Caroccia, D.  et al.
(2011)  J.Med.Chem.  54 : 7176 - 7183

PubMed: 21916489
DOI: 10.1021/jm200778q

Reaction

Chain : A, B
UniProt : P0C6F2 (POL_HV1LW)
Reaction: EC: Evidence:
Physiological Direction:
Specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro. 3.4.23.16 PROSITE-ProRule:PRU00275
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Endohydrolysis of RNA in RNA/DNA hybrids. Three different cleavage modes: 1. sequence-specific internal cleavage of RNA. Human immunodeficiency virus type 1 and Moloney murine leukemia virus enzymes prefer to cleave the RNA strand one nucleotide away from the RNA-DNA junction. 2. RNA 5'-end directed cleavage 13-19 nucleotides from the RNA end. 3. DNA 3'-end directed cleavage 15-20 nucleotides away from the primer terminus. 3.1.26.13 ECO:0000250
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3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid. 3.1.13.2 ECO:0000250
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DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate 2.7.7.49 PROSITE-ProRule:PRU00405
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DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate 2.7.7.7 PROSITE-ProRule:PRU00405
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Cofactor: Evidence: Note:
Mg(2+) ECO:0000250
Binds 2 magnesium ions for reverse transcriptase polymerase activity.
Mg(2+) ECO:0000250
Binds 2 magnesium ions for ribonuclease H (RNase H) activity. Substrate-binding is a precondition for magnesium binding.
Mg(2+) ECO:0000250
Magnesium ions are required for integrase activity. Binds at least 1, maybe 2 magnesium ions.