Structure of PDB 4ck2 Chain A Binding Site BS03

Receptor Information
>4ck2 Chain A (length=150) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLA
GRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEDGIPYNPQSQGVIESMN
KELKKIIGQVRDQAEHLKTAVQMAVFIHNHKRKGYSAGERIVDIIATDIQ
Ligand information
Ligand IDNVU
InChIInChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
InChIKeyBVSIAYQIMUUCRW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)Cc2noc1ccccc12
OpenEye OEToolkits 1.9.2c1ccc2c(c1)c(no2)CC(=O)O
CACTVS 3.385OC(=O)Cc1noc2ccccc12
FormulaC9 H7 N O3
Name2-(1,2-benzoxazol-3-yl)ethanoic acid
ChEMBLCHEMBL3792472
DrugBank
ZINCZINC000000161692
PDB chain4ck2 Chain B Residue 1216 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ck2 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		R107 P109
Binding residue
(residue number reindexed from 1)		R52 P54
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4ck2, PDBe:4ck2, PDBj:4ck2
PDBsum4ck2
PubMed24532034
UniProtP12497|POL_HV1N5 Gag-Pol polyprotein (Gene Name=gag-pol)

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