Structure of PDB 3vq9 Chain A Binding Site BS01

Receptor Information
>3vq9 Chain A (length=142) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIESMNKELKKIIGQVR
DQAEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATDI
Ligand information
Ligand IDFBB
InChIInChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyCJLUXPZQUXVJNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)sc(n2)N
CACTVS 3.370Nc1sc2cc(F)ccc2n1
ACDLabs 12.01Fc1ccc2nc(sc2c1)N
FormulaC7 H5 F N2 S
Name6-fluoro-1,3-benzothiazol-2-amine
ChEMBLCHEMBL98406
DrugBank
ZINCZINC000017744334
PDB chain3vq9 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vq9 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)		H67 V72 E92
Binding residue
(residue number reindexed from 1)		H11 V16 E36
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:3vq9, PDBe:3vq9, PDBj:3vq9
PDBsum3vq9
PubMed23139382
UniProtQ72498

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