Structure of PDB 6cen Chain A Binding Site BS04

Receptor Information
>6cen Chain A (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEALEIEKNSRKPPPYKHIKANKVIGKVQIQVADLSEIPRCNCKPADENP
CGLESECLNRMLQYECHPQVCPAGDRCQNQCFTKRLYPDAEIIKTERRGW
GLRTKRSIKKGEFVNEYVGELIDEEECRLRIKRAHENSVTNFYMLTVTKD
RIIDAGPKGNYSRFMNHSCNPNCETQKWTVNGDVRVGLFALCDIPAGMEL
TFNYNLDCLGRTECHCGADNCSGFLG
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 chain6cen Chain A Residue 1303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cen Identification of a peptide inhibitor for the histone methyltransferase WHSC1.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		C1108 C1123 C1128 C1134
Binding residue
(residue number reindexed from 1)		C51 C66 C71 C77
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.370: [histone H3]-lysine(4) N-dimethyltransferase.
2.1.1.371: [histone H3]-lysine(27) N-dimethyltransferase.
Gene Ontology
Molecular Function
GO:0042054 histone methyltransferase activity
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Cellular Component
External links
PDB RCSB:6cen, PDBe:6cen, PDBj:6cen
PDBsum6cen
PubMed29742153
UniProtQ9BZ95|NSD3_HUMAN Histone-lysine N-methyltransferase NSD3 (Gene Name=NSD3)

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