Structure of PDB 8grq Chain K Binding Site BS01

Receptor Information
>8grq Chain K (length=92) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRVEEVQNVINAMQKILECPICLELIKEPVSTKCDHIFCKFCMLKLLNQK
KGPSQCPLCKNDITKRSLQESTRFSQLVEELLKIICAFQLDT
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 chain8grq Chain K Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8grq Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Resolution3.87 Å
Binding residue
(original residue number in PDB)		H41 C64
Binding residue
(residue number reindexed from 1)		H36 C59
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair
GO:0006974 DNA damage response

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Molecular Function
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Biological Process
External links
PDB RCSB:8grq, PDBe:8grq, PDBj:8grq
PDBsum8grq
PubMed
UniProtP38398|BRCA1_HUMAN Breast cancer type 1 susceptibility protein (Gene Name=BRCA1)

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