Structure of PDB 7yaa Chain A Binding Site BS02

Receptor Information
>7yaa Chain A (length=141) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSQSNRELVVDFLSYKLSQKGYSWSQPMAAVKQALREAGDEFELRYRRAF
SDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESV
DKEMQVLVSRIASWMATYLNDHLEPWIQENGGWDTFVDLYG
Ligand information
Ligand IDJJ9
InChIInChI=1S/C15H15N3O3S/c1-10(20)16-6-7-17-14(21)11-2-4-12(5-3-11)15-18-13(8-19)9-22-15/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,21)
InChIKeyRKZUYEHRAHKPLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)NCCNC(=O)c1ccc(cc1)c2scc(C=O)n2
OpenEye OEToolkits 2.0.7CC(=O)NCCNC(=O)c1ccc(cc1)c2nc(cs2)C=O
FormulaC15 H15 N3 O3 S
NameN-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide
ChEMBL
DrugBank
ZINC
PDB chain7yaa Chain B Residue 101 [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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PDB7yaa Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-xL by engaging a single-residue discrepancy
Resolution1.4 Å
Binding residue
(original residue number in PDB)		V80 N81 W82 R84
Binding residue
(residue number reindexed from 1)		V80 N81 W82 R84
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042981 regulation of apoptotic process

View graph for
Biological Process
External links
PDB RCSB:7yaa, PDBe:7yaa, PDBj:7yaa
PDBsum7yaa
PubMed38368459
UniProtQ07817|B2CL1_HUMAN Bcl-2-like protein 1 (Gene Name=BCL2L1)

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