Structure of PDB 6gjw Chain C Binding Site BS01

Receptor Information
>6gjw Chain C (length=78) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAV
DRWQYGDSAVGRHRKVSPNCRFINGFYL
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 chain6gjw Chain C Residue 101 [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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PDB6gjw Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C63 C66 H83 C90
Binding residue
(residue number reindexed from 1)		C43 C46 H63 C70
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
External links
PDB RCSB:6gjw, PDBe:6gjw, PDBj:6gjw
PDBsum6gjw
PubMed31011505
UniProtP98170|XIAP_HUMAN E3 ubiquitin-protein ligase XIAP (Gene Name=XIAP)

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