Structure of PDB 7y99 Chain A Binding Site BS02

Receptor Information
>7y99 Chain A (length=140) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQSNRELVVDFLSYKLSQKGYSWSQPMAAVKQALREAGDEFELRYRRAFS
DLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVD
KEMQVLVSRIASWMATYLNDHLEPWIQENGGWDTFVDLYG
Ligand information
Ligand IDIQ8
InChIInChI=1S/C14H17N3O2S/c1-10(18)15-6-7-16-13(19)11-2-4-12(5-3-11)14-17-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyRTMXZJKKASUKFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)NCCNC(=O)c1ccc(cc1)C2=NCCS2
FormulaC14 H17 N3 O2 S
NameN-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
ChEMBL
DrugBank
ZINC
PDB chain7y99 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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PDB7y99 Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-xL by engaging a single-residue discrepancy
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V80 N81 W82 R84
Binding residue
(residue number reindexed from 1)		V79 N80 W81 R83
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:7y99, PDBe:7y99, PDBj:7y99
PDBsum7y99
PubMed38368459
UniProtQ64373|B2CL1_MOUSE Bcl-2-like protein 1 (Gene Name=Bcl2l1)

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