Structure of PDB 3vq7 Chain A Binding Site BS04

Receptor Information
>3vq7 Chain A (length=145) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTVKAACDWAGIKQEDGIPYVIESMNKELKKII
GQVRDQAEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATD
Ligand information
Ligand IDSNU
InChIInChI=1S/C10H10N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,11H2
InChIKeyNHLHWHRXMZZWGA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccn(c1)c2ccc(cc2)N
CACTVS 3.370Nc1ccc(cc1)n2cccc2
ACDLabs 12.01c1(ccc(cc1)n2cccc2)N
FormulaC10 H10 N2
Name4-(1H-pyrrol-1-yl)aniline
ChEMBL
DrugBank
ZINCZINC000000159039
PDB chain3vq7 Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vq7 Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution1.63 Å
Binding residue
(original residue number in PDB)		A98 Y99 T125 A128 A129 W132
Binding residue
(residue number reindexed from 1)		A42 Y43 T69 A72 A73 W76
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
Biological Process
GO:0015074 DNA integration

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Molecular Function
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Biological Process
External links
PDB RCSB:3vq7, PDBe:3vq7, PDBj:3vq7
PDBsum3vq7
PubMed23139382
UniProtQ72498

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