Structure of PDB 8quk Chain A Binding Site BS01

Receptor Information
>8quk Chain A (length=219) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQ
DLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPR
GSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSI
LDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKT
ILKALGPGATLEEMMTACQ
Ligand information
Ligand IDWVU
InChIInChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKeyBAHFPJFBMJTOPU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1CN(CCN1)C(=O)OCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)N2CCNC(=O)C2
FormulaC12 H14 N2 O3
Name(phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate
ChEMBL
DrugBank
ZINC
PDB chain8quk Chain A Residue 303 [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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PDB8quk Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments
Resolution1.38 Å
Binding residue
(original residue number in PDB)		N53 L56 N57 M66 K70 I73 N74
Binding residue
(residue number reindexed from 1)		N53 L56 N57 M66 K70 I73 N74
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

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Biological Process
External links
PDB RCSB:8quk, PDBe:8quk, PDBj:8quk
PDBsum8quk
PubMed38581280
UniProtP12493|GAG_HV1N5 Gag polyprotein (Gene Name=gag)

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