Structure of PDB 3vqb Chain A Binding Site BS01

Receptor Information
>3vqb 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
RWPVKTVHTDNGSNFTSTTVKAACDWAGIKQEDGIPSMNKELKKIIGQVR
DQAEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATDI
Ligand information
Ligand IDFBG
InChIInChI=1S/C9H7FO4/c10-6-1-5-3-13-4-14-8(5)7(2-6)9(11)12/h1-2H,3-4H2,(H,11,12)
InChIKeyHWBALMSPYAUMMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)c1cc(F)cc2COCOc12
ACDLabs 12.01O=C(O)c2cc(F)cc1c2OCOC1
OpenEye OEToolkits 1.7.6c1c(cc(c2c1COCO2)C(=O)O)F
FormulaC9 H7 F O4
Name6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000004271828
PDB chain3vqb 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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PDB3vqb Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H185 S195 G197 V201
Binding residue
(residue number reindexed from 1)		H119 S129 G131 V135
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:3vqb, PDBe:3vqb, PDBj:3vqb
PDBsum3vqb
PubMed23139382
UniProtQ72498

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