Structure of PDB 3sp7 Chain A Binding Site BS03

Receptor Information
>3sp7 Chain A (length=150) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEFMSQSNRELVVDFLSYKLSQKGYSWSQFSDESEAVKQALREAGDEFEL
RYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGA
LCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3sp7 Chain A Residue 213 [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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PDB3sp7 Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors
Resolution1.4 Å
Binding residue
(original residue number in PDB)		E124 H177
Binding residue
(residue number reindexed from 1)		E75 H128
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042981 regulation of apoptotic process

View graph for
Biological Process
External links
PDB RCSB:3sp7, PDBe:3sp7, PDBj:3sp7
PDBsum3sp7
PubMed
UniProtQ07817|B2CL1_HUMAN Bcl-2-like protein 1 (Gene Name=BCL2L1)

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