Structure of PDB 7x73 Chain A Binding Site BS06

Receptor Information
>7x73 Chain A (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDR
NITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFE
CNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICE
YVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCD
PNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYF
TCQCGSEKCKHSAEAIALEQSRLA
Ligand information
Ligand IDJ26
InChIInChI=1S/C26H30N4O3/c1-15-22-20(12-26(2,3)13-21(22)31)29-23(15)25(33)30-19(11-8-16-4-5-16)24(32)28-18-9-6-17(14-27)7-10-18/h6-7,9-10,16,19,29H,4-5,8,11-13H2,1-3H3,(H,28,32)(H,30,33)/t19-/m0/s1
InChIKeyOWORSODZTADOQX-IBGZPJMESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2c([nH]c1C(=O)NC(CCC3CC3)C(=O)Nc4ccc(cc4)C#N)CC(CC2=O)(C)C
CACTVS 3.385Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[C@@H](CCC3CC3)C(=O)Nc4ccc(cc4)C#N
CACTVS 3.385Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[CH](CCC3CC3)C(=O)Nc4ccc(cc4)C#N
OpenEye OEToolkits 2.0.7Cc1c2c([nH]c1C(=O)N[C@@H](CCC3CC3)C(=O)Nc4ccc(cc4)C#N)CC(CC2=O)(C)C
FormulaC26 H30 N4 O3
NameN-[(2S)-1-[(4-cyanophenyl)amino]-4-cyclopropyl-1-oxidanylidene-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxamide
ChEMBLCHEMBL5279012
DrugBank
ZINC
PDB chain7x73 Chain A Residue 1206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7x73 A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Resolution1.49 Å
Binding residue
(original residue number in PDB)		D1083 L1086 F1087 D1088 R1123 F1152 Y1154 R1157 F1158 I1161
Binding residue
(residue number reindexed from 1)		D167 L170 F171 D172 R207 F236 Y238 R241 F242 I245
Annotation score1
Enzymatic activity
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7x73, PDBe:7x73, PDBj:7x73
PDBsum7x73
PubMed36635268
UniProtQ96KQ7|EHMT2_HUMAN Histone-lysine N-methyltransferase EHMT2 (Gene Name=EHMT2)

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