Structure of PDB 3vq6 Chain A Binding Site BS01

Receptor Information
>3vq6 Chain A (length=145) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLA
GRWPVKTVHTDNGSNFTSTTVKAACDWAGIKQEDGIPVIESMNKELKKII
GQVRDQAEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATD
Ligand information
Ligand IDBCK
InChIInChI=1S/C11H12N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
InChIKeyZVGZXURABHDVPS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OCc2c(c1ccccc1)n(nc2)C
OpenEye OEToolkits 1.7.6Cn1c(c(cn1)CO)c2ccccc2
CACTVS 3.370Cn1ncc(CO)c1c2ccccc2
FormulaC11 H12 N2 O
Name(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
ChEMBL
DrugBank
ZINCZINC000000159059
PDB chain3vq6 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vq6 Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G140 P142
Binding residue
(residue number reindexed from 1)		G85 P87
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:3vq6, PDBe:3vq6, PDBj:3vq6
PDBsum3vq6
PubMed23139382
UniProtQ72498

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