Structure of PDB 6wi8 Chain B Binding Site BS03

Receptor Information
>6wi8 Chain B (length=199) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TWELSLYELQRTPQEAITDGLEIVVSPRSLHSELMCPICLDMLKNTMTTK
ECLHRFCADCIITALRSGNKECPTCRKKLVSKRSLRPDPNFDALISKIYP
TTRIKITELNPHLMCVLCGGYFIDATTIIECLHSFCKTCIVRYLETSKYC
PICDVQVHKTRPLLNIRSDKTLQDIVYKLVPGLFKNEMKRRRDFYAAHP
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 chain6wi8 Chain B Residue 1203 [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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PDB6wi8 Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Resolution3.092 Å
Binding residue
(original residue number in PDB)		C67 H69 C87 C90
Binding residue
(residue number reindexed from 1)		C52 H54 C72 C75
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
5.-.-.-
External links
PDB RCSB:6wi8, PDBe:6wi8, PDBj:6wi8
PDBsum6wi8
PubMed34155404
UniProtP35226|BMI1_HUMAN Polycomb complex protein BMI-1 (Gene Name=BMI1);
Q99496|RING2_HUMAN E3 ubiquitin-protein ligase RING2 (Gene Name=RNF2)

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