Structure of PDB 3vq8 Chain A Binding Site BS01

Receptor Information
>3vq8 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
RWPVKTVHTDNGSNFTGATVRAACDWAGIKQEESMNKELKKIIGQVRDQA
EHLKTAVQMAVFIHNHKRKGYSAGERIVDIIATDIQ
Ligand information
Ligand IDBCU
InChIInChI=1S/C10H12O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8,11H,5-7H2/t8-/m1/s1
InChIKeyUPDSWAQIQZFOLF-MRVPVSSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C[C@@H](CO2)CO
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CC(CO2)CO
CACTVS 3.370OC[C@@H]1COc2ccccc2C1
CACTVS 3.370OC[CH]1COc2ccccc2C1
ACDLabs 12.01OCC1Cc2c(OC1)cccc2
FormulaC10 H12 O2
Name(3R)-3,4-dihydro-2H-chromen-3-ylmethanol;
(3R)-3,4-dihydro-2H-1-benzopyran-3-ylmethanol
ChEMBL
DrugBank
ZINCZINC000004271751
PDB chain3vq8 Chain A Residue 1006 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3vq8 Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
Resolution1.6 Å
Binding residue
(original residue number in PDB)		A98 A128
Binding residue
(residue number reindexed from 1)		A42 A72
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:3vq8, PDBe:3vq8, PDBj:3vq8
PDBsum3vq8
PubMed23139382
UniProtQ72498

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