Structure of PDB 1hyv Chain A Binding Site BS01

Receptor Information
>1hyv Chain A (length=144) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGQGVIESMNKELKKIIG
QVRDQAEHLKTAVQMAVFIHNKKRKGGYSAGERIVDIIATDIQT
Ligand information
Ligand IDTTA
InChIInChI=1S/C24H20As/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
InChIKeyPJMJFVQKDBRMIP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
ACDLabs 10.04c1c(cccc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
FormulaC24 H20 As
NameTETRAPHENYL-ARSONIUM
ChEMBL
DrugBank
ZINC
PDB chain1hyv 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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PDB1hyv Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D167 Q168 A169 T174
Binding residue
(residue number reindexed from 1)		D104 Q105 A106 T111
Annotation score1
Binding affinityMOAD: ic50>5mM
PDBbind-CN: -logKd/Ki=2.30,IC50>5mM
Enzymatic activity
Enzyme Commision number 2.7.7.-
2.7.7.49: RNA-directed DNA polymerase.
2.7.7.7: DNA-directed DNA polymerase.
3.1.-.-
3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
3.4.23.16: HIV-1 retropepsin.
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:1hyv, PDBe:1hyv, PDBj:1hyv
PDBsum1hyv
PubMed11264582
UniProtP12497|POL_HV1N5 Gag-Pol polyprotein (Gene Name=gag-pol)

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