Structure of PDB 3vqp Chain B Binding Site BS01

Receptor Information
>3vqp Chain B (length=140) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTVKAACDWAGIKQEIESMNKELKKIIGQVRDQ
AEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATDI
Ligand information
Ligand IDDBJ
InChIInChI=1S/C9H10O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,10H,4-6H2
InChIKeyWATIARBIFSKYKC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O1c2c(OCC1)cccc2CO
CACTVS 3.370OCc1cccc2OCCOc12
OpenEye OEToolkits 1.7.6c1cc(c2c(c1)OCCO2)CO
FormulaC9 H10 O3
Name2,3-dihydro-1,4-benzodioxin-5-ylmethanol
ChEMBL
DrugBank
ZINCZINC000004271832
PDB chain3vqp Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vqp 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)		R107 W108 P109
Binding residue
(residue number reindexed from 1)		R51 W52 P53
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:3vqp, PDBe:3vqp, PDBj:3vqp
PDBsum3vqp
PubMed23139382
UniProtQ72498

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