Structure of PDB 7yb7 Chain A Binding Site BS03

Receptor Information
>7yb7 Chain A (length=136) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNREIVMKYISYKLSQRGYEWESEVVHQTLRQAGDDFSLRYRRDFAEMSS
QLHLTPGTAYASFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMS
VLVDNIAAWMATYLNDHLHTWIQDNGGWDAFVELYG
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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		P73 N122
Binding residue
(residue number reindexed from 1)		P56 N105
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)

[Back to BioLiP]