Structure of PDB 4chn Chain A Binding Site BS02

Receptor Information
>4chn Chain A (length=149) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEDGIPYNPQSQGVIESMNK
ELKKIIGQVRDQAEHLKTAVQMAVFIHNHKRKGYSAGERIVDIIATDIQ
Ligand information
Ligand IDONZ
InChIInChI=1S/C10H9NO5/c12-8(13)4-11-10(14)6-2-1-3-7-9(6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)
InChIKeyYDSBLSGGADRARS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O
CACTVS 3.385OC(=O)CNC(=O)c1cccc2OCOc12
ACDLabs 12.01O=C(O)CNC(=O)c1cccc2OCOc12
FormulaC10 H9 N O5
Name2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid
ChEMBL
DrugBank
ZINC
PDB chain4chn Chain B Residue 1215 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4chn Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G106 R107 W108 P109
Binding residue
(residue number reindexed from 1)		G50 R51 W52 P53
Annotation score1
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4chn, PDBe:4chn, PDBj:4chn
PDBsum4chn
PubMed24532034
UniProtP12497|POL_HV1N5 Gag-Pol polyprotein (Gene Name=gag-pol)

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