Structure of PDB 4j46 Chain C Binding Site BS01

Receptor Information
>4j46 Chain C (length=76) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLK
NWEPGDRAWSEHRRHFPNCFFVLGRN
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 chain4j46 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4j46 The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		C200 C203 H220 C227
Binding residue
(residue number reindexed from 1)		C42 C45 H62 C69
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
Gene Ontology
Molecular Function
GO:0043027 cysteine-type endopeptidase inhibitor activity involved in apoptotic process
Biological Process
GO:0043066 negative regulation of apoptotic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4j46, PDBe:4j46, PDBj:4j46
PDBsum4j46
PubMed23999295
UniProtP98170|XIAP_HUMAN E3 ubiquitin-protein ligase XIAP (Gene Name=XIAP)

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