Structure of PDB 3ooi Chain A Binding Site BS01

Receptor Information
>3ooi Chain A (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKELRQLQEDRKNDKKPPPYKHIKVNRPIGRVQIFTADLSEIPRCNCKAT
DENPCGIDSECINRMLLYECHPTVCPAGGRCQNQCFSKRQYPEVEIFRTL
QRGWGLRTKTDIKKGEFVNEYVGELIDEEECRARIRYAQEHDITNFYMLT
LDKDRIIDAGPKGNYARFMNHCCQPNCETQKWSVNGDTRVGLFALSDIKA
GTELTFNYNLECLGNGKTVCKCGAPNCSGFLG
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 chain3ooi Chain A Residue 232 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ooi The structure of NSD1 reveals an autoregulatory mechanism underlying histone H3K36 methylation
Resolution1.75 Å
Binding residue
(original residue number in PDB)		C172 C219 C221 C226
Binding residue
(residue number reindexed from 1)		C173 C220 C222 C227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y120 Y207
Catalytic site (residue number reindexed from 1) Y121 Y208
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:3ooi, PDBe:3ooi, PDBj:3ooi
PDBsum3ooi
PubMed21196496
UniProtQ96L73|NSD1_HUMAN Histone-lysine N-methyltransferase, H3 lysine-36 specific (Gene Name=NSD1)

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