Structure of PDB 3vqe Chain A Binding Site BS02

Receptor Information
>3vqe Chain A (length=136) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTGATVRAACDWAGIKQESMNKELKKIIGQVRDQAE
HLKTAVQMAVFIHNHKRKGGYSAGERIVDIIATDIQ
Ligand information
Ligand IDFMQ
InChIInChI=1S/C11H11FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-6,15H,7H2,1H3
InChIKeyQJPGMVFNIWHOIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(cnn1c2ccc(cc2)F)CO
CACTVS 3.370Cc1n(ncc1CO)c2ccc(F)cc2
ACDLabs 12.01Fc1ccc(cc1)n2ncc(c2C)CO
FormulaC11 H11 F N2 O
Name[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
ChEMBLCHEMBL2326883
DrugBank
ZINCZINC000000161957
PDB chain3vqe Chain B Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vqe Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution1.7 Å
Binding residue
(original residue number in PDB)		P109 K111
Binding residue
(residue number reindexed from 1)		P53 K55
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:3vqe, PDBe:3vqe, PDBj:3vqe
PDBsum3vqe
PubMed23139382
UniProtQ72498

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