Structure of PDB 6kqq Chain A Binding Site BS07

Receptor Information
>6kqq Chain A (length=223) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDKKPPPYKHIKVNRPIGRVQIFTADLSEIPRCNCKATDENPCGIDSECI
NRMLLYECHPTVCPAGGRCQNQCFSKRQYPEVEIFRTLQRGWGLRTKTDI
KKGEFVNEYVGELIDEEECRARIRYAQEHDITNFYMLTLDKDRIIDAGPK
GNYARFMNHCCQPNCETQKWSVNGDTRVGLFALSDIKAGTELTFNYNLEC
LGNGKTVCKCGAPNCSGFLGVRP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6kqq Chain A Residue 2108 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kqq Covalent inhibition of NSD1 histone methyltransferase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E1978 K2003
Binding residue
(residue number reindexed from 1)		E116 K141
Annotation score1
Enzymatic activity
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:6kqq, PDBe:6kqq, PDBj:6kqq
PDBsum6kqq
PubMed32868895
UniProtQ96L73|NSD1_HUMAN Histone-lysine N-methyltransferase, H3 lysine-36 specific (Gene Name=NSD1)

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