Structure of PDB 7dcf Chain B Binding Site BS02

Receptor Information
>7dcf Chain B (length=259) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNIT
HLQHCTCVDDCSSSNCLCGQLSIRCWYDKRLLQEFNEPPLIFECNQACSC
WRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELIS
DAEADVREDDSYLFDLDNKEVYCIDARYYGNISRFINHLCDPNIIPVRVF
MLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKC
KHSAEAIAL
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 chain7dcf Chain B Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dcf Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C974 C987 C1017 C1021
Binding residue
(residue number reindexed from 1)		C55 C68 C94 C98
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y1067 Y1154
Catalytic site (residue number reindexed from 1) Y144 Y229
Enzyme Commision number 2.1.1.-
2.1.1.367: [histone H3]-lysine(9) N-methyltransferase.
Gene Ontology
Molecular Function
GO:0002039 p53 binding
GO:0008270 zinc ion binding
GO:0016279 protein-lysine N-methyltransferase activity
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:7dcf, PDBe:7dcf, PDBj:7dcf
PDBsum7dcf
PubMed33488973
UniProtQ96KQ7|EHMT2_HUMAN Histone-lysine N-methyltransferase EHMT2 (Gene Name=EHMT2)

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