Structure of PDB 7nd1 Chain A Binding Site BS01

Receptor Information
>7nd1 Chain A (length=100) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TWELSLYELQRTPQEAITDGLEIVVSPRSLHSELMCPICLDMLKNTMTTK
ECLHRFCADCIITALRSGNKECPTCRKKLVSKRSLRPDPNFDALISKIYP
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 chain7nd1 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nd1 Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
ResolutionN/A
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.
Gene Ontology
Cellular Component
GO:0000151 ubiquitin ligase complex

View graph for
Cellular Component
External links
PDB RCSB:7nd1, PDBe:7nd1, PDBj:7nd1
PDBsum7nd1
PubMed34155404
UniProtQ99496|RING2_HUMAN E3 ubiquitin-protein ligase RING2 (Gene Name=RNF2)

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