Structure of PDB 3vq4 Chain A Binding Site BS01

Receptor Information
>3vq4 Chain A (length=144) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLA
GRWPVKTVHTDNGSNFTSTTVKAACDWAGIKQEDGIPIESMNKELKKIIG
QVRDQAEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATD
Ligand information
Ligand ID0NX
InChIInChI=1S/C10H9NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-6,12H,7H2
InChIKeyBPAFLGGUEBMWRN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OCc2noc(c1ccccc1)c2
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cc(no2)CO
CACTVS 3.370OCc1cc(on1)c2ccccc2
FormulaC10 H9 N O2
Name(5-phenyl-1,2-oxazol-3-yl)methanol
ChEMBLCHEMBL4741008
DrugBank
ZINCZINC000001394131
PDB chain3vq4 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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PDB3vq4 Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R107 W108 P109 I204 A205 T206
Binding residue
(residue number reindexed from 1)		R52 W53 P54 I141 A142 T143
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:3vq4, PDBe:3vq4, PDBj:3vq4
PDBsum3vq4
PubMed23139382
UniProtQ72498

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