Structure of PDB 5lsu Chain A Binding Site BS03

Receptor Information
>5lsu Chain A (length=231) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLLRELRETQESERKPPPYKHIKVNKPYGKVQIYTADISEIPKCNCKPTD
ENPCGFDSECLNRMLMFECHPQVCPAGEFCQNQCFTKRQYPETKIIKTLQ
RGWGLVAKRDIRKGEFVNEYVGELIDEEECMARIKHAHENDITHFYMLTI
DKDRIIDAGPKGNYSRFMNHSCQPNCETLKWTVNGDTRVGLFAVCDIPAG
TELTFNYNLDCLGNEKTVCRCGASNCSGFLG
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 chain5lsu 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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PDB5lsu Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		C1026 C1041 C1046 C1052
Binding residue
(residue number reindexed from 1)		C54 C69 C74 C80
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y1092 Y1179
Catalytic site (residue number reindexed from 1) Y120 Y207
Enzyme Commision number 2.1.1.357: [histone H3]-lysine(36) 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:5lsu, PDBe:5lsu, PDBj:5lsu
PDBsum5lsu
PubMed27571355
UniProtO96028|NSD2_HUMAN Histone-lysine N-methyltransferase NSD2 (Gene Name=NSD2)

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