Structure of PDB 1a5v Chain A Binding Site BS02

Receptor Information
>1a5v Chain A (length=146) Species: 11889 (Rous sarcoma virus (strain Schmidt-Ruppin)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLGPLQIWQTDFTLEPRMAPRSWLAVTVDTASSAIVVTQHGRVTSVAAQH
HWATAIAVLGRPKAIKTDNGSCFTSKSTREWLARWGIAHTTGIPGNSQGQ
AMVERANRLLKDKIRVLAEGDGFMKRIPTSKQGELLAKAMYALNHF
Ligand information
Ligand IDY3
InChIInChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)
InChIKeyDACUJXBUANTBKE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)c1cc(NC(=O)C)c2c(c1)cc(cc2O)S(=O)(=O)O
FormulaC12 H11 N O8 S2
Name4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID
ChEMBLCHEMBL144613
DrugBank
ZINCZINC000001621007
PDB chain1a5v Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a5v Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q62 A154 M155
Binding residue
(residue number reindexed from 1)		Q9 A101 M102
Annotation score1
Binding affinityMOAD: ic50=800uM
PDBbind-CN: -logKd/Ki=3.10,IC50=800uM
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.-.-
3.1.26.4: ribonuclease H.
3.4.23.-
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:1a5v, PDBe:1a5v, PDBj:1a5v
PDBsum1a5v
PubMed9560188
UniProtO92956|POL_RSVSB Gag-Pol polyprotein (Gene Name=gag-pol)

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