Structure of PDB 3vqc Chain A Binding Site BS01

Receptor Information
>3vqc Chain A (length=141) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTVKAACDWAGIKQEDGIPSMNKELKKIIGQVR
DQAEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATD
Ligand information
Ligand IDMPK
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)11(12-14-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyGHGWDZCXZRWQBG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n1oc(c(c1c2ccccc2)CO)C
CACTVS 3.370Cc1onc(c1CO)c2ccccc2
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2)CO
FormulaC11 H11 N O2
Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol
ChEMBL
DrugBank
ZINCZINC000000158498
PDB chain3vqc Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vqc Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N184 H185 S195 G197 E198
Binding residue
(residue number reindexed from 1)		N118 H119 S129 G131 E132
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:3vqc, PDBe:3vqc, PDBj:3vqc
PDBsum3vqc
PubMed23139382
UniProtQ72498

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