Structure of PDB 7yb7 Chain B Binding Site BS02

Receptor Information
>7yb7 Chain B (length=138) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDNREIVMKYISYKLSQRGYEWDESEVVHQTLRQAGDDFSLRYRRDFAEM
SSQLHLTPGTAYASFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNRE
MSVLVDNIAAWMATYLNDHLHTWIQDNGGWDAFVELYG
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 chain7yb7 Chain D 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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PDB7yb7 Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-XL by engaging a single-residue discrepancy
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G91 V92 N93 W94 R96 L151
Binding residue
(residue number reindexed from 1)		G76 V77 N78 W79 R81 L136
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:7yb7, PDBe:7yb7, PDBj:7yb7
PDBsum7yb7
PubMed38368459
UniProtP10415|BCL2_HUMAN Apoptosis regulator Bcl-2 (Gene Name=BCL2);
Q07817|B2CL1_HUMAN Bcl-2-like protein 1 (Gene Name=BCL2L1)

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