Structure of PDB 3vq7 Chain A Binding Site BS03

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 A Residue 1004 [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)		R107 W108 P109 I204
Binding residue
(residue number reindexed from 1)		R51 W52 P53 I142
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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