Brand  (β version)

PDB ID: 4J55

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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
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Structure summary

Code : 4J55   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-02031
Release Data : 2013-05-15
Compound :
mol_id molecule chains
1 Protease A,B
ec: 3.4.23.16
fragment: UNP residues 501-599
mutation: Q7K,L10F,I13V,I15V,D30N,V32I,L33F,E35D,M36I,S37N,I47V,I54L,Q58E,I62V,L63P,A71V,I84V,N88D,L89T,L90M
Source :
mol_id organism_scientific organism_common expression_system
1 Human immunodeficiency virus 1  (taxid:11676) HIV-1 Escherichia coli  (taxid:469008)
gene: pol
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET11a
Authors : Wang, Y.-F., Agniswamy, J., Weber, I.T.
Keywords : multidrug resistant HIV-1 protease clinical isolate PR20, clinical inhibitor Amprenavir, potent antiviral inhibitor GRL-0519A, potent antiviral inhibitor GRL-02031, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.31 Å )
Citation :

Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.

Agniswamy, J.,Shen, C.H.,Wang, Y.F.  et al.
(2013)  J.Med.Chem.  56 : 4017 - 4027

PubMed: 23590295
DOI: 10.1021/jm400231v

Reaction

Chain : A, B
UniProt : P03367 (POL_HV1BR)
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 -
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3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid. 3.1.13.2 -
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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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