Structure of PDB 7nk0 Chain D Binding Site BS01

Receptor Information
>7nk0 Chain D (length=74) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLSCELYRMSTYSTFPAGVPVSERSLARAGFYYTGVNDKVKCFCCGLMLD
NWKRGDSPTEKHKKLYPSCRFVQS
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 chain7nk0 Chain D Residue 401 [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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PDB7nk0 Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		C66 C69 H86 C93
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.
External links
PDB RCSB:7nk0, PDBe:7nk0, PDBj:7nk0
PDBsum7nk0
PubMed34938412
UniProtQ13489|BIRC3_HUMAN Baculoviral IAP repeat-containing protein 3 (Gene Name=BIRC3)

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