Structure of PDB 3vqd Chain A Binding Site BS01

Receptor Information
>3vqd 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 IDMOK
InChIInChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyPENHKTNQUJMHIR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c2c(onc2c1ccccc1)C
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2)C(=O)O
CACTVS 3.370Cc1onc(c2ccccc2)c1C(O)=O
FormulaC11 H9 N O3
Name5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000000158490
PDB chain3vqd 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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PDB3vqd Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H185 S195 G197 E198
Binding residue
(residue number reindexed from 1)		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:3vqd, PDBe:3vqd, PDBj:3vqd
PDBsum3vqd
PubMed23139382
UniProtQ72498

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