Brand  (β version)

PDB ID: 3VFA

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Ligands
Code Name Style Show Link
031 (3as,5r,6ar)-hexahydro-2h-cyclopenta[B]furan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2r)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate PoSSuM
CL Chloride ion PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3VFA   PDBj   RCSB PDB   PDBe
Header : hydrolase/hydrolase inhibitor
Title : Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031
Release Data : 2012-11-21
Compound :
mol_id molecule chains
1 protease A,B
ec: 3.4.23.16
fragment: UNP residues 501-599
mutation: Q507K, L33I5, L563I, C567A, V582A, C595A
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:469008)
gene: gag-pol
expression_system_strain: Bl21 (de3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET11a
Authors : Yu, X.X., Wang, Y.F., Chang, Y.C.E., Weber, I.T.
Keywords : protease inhibitor, P1'-ligand, hydrolase-hydrolase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.43 Å )
Citation :

Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.

Chang, Y.C.,Yu, X.,Zhang, Y.  et al.
(2012)  J.Med.Chem.  55 : 3387 - 3397

PubMed: 22401672
DOI: 10.1021/jm300072d

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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a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1) 2.7.7.49 PROSITE- ProRule:PRU00405
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a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1) 2.7.7.7 PROSITE- ProRule:PRU00405
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