Structure of PDB 1i3o Chain E Binding Site BS01

Receptor Information
>1i3o Chain E (length=111) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDY
AHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPN
CFFVLGRNLNI
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 chain1i3o Chain E Residue 1 [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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PDB1i3o Structural basis for the inhibition of caspase-3 by XIAP.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C200 C203 H220 C227
Binding residue
(residue number reindexed from 1)		C74 C77 H94 C101
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
External links
PDB RCSB:1i3o, PDBe:1i3o, PDBj:1i3o
PDBsum1i3o
PubMed11257232
UniProtP98170|XIAP_HUMAN E3 ubiquitin-protein ligase XIAP (Gene Name=XIAP)

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