Structure of PDB 7xub Chain A

Receptor sequence

>7xubA (length=270) Species: 9606 (Homo sapiens)

IRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNID
RNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIF
ECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFIC
EYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLC
DPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKY
FTCQCGSEKCKHSAEAIALE

3D structure

• PDB: 7xub Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
• Chain: A
• Resolution: 2.0 Å

Enzymatic activity

• Enzyme Commision number: 2.1.1.-
  2.1.1.367: [histone H3]-lysine(9) N-methyltransferase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	A	C974 C987 C1017 C1021	C59 C72 C102 C106
BS02	ZN	A	C980 C1017 C1023 C1027	C65 C102 C108 C112
BS03	ZN	A	C974 C976 C980 C985	C59 C61 C65 C70
BS04	ZN	A	C1115 C1168 C1170 C1175	C200 C253 C255 C260
BS05	SFG	A	M1048 W1050 S1084 Y1085 R1109 F1110 N1112 H1113 Y1154 W1159 C1168 Q1169	M133 W135 S169 Y170 R194 F195 N197 H198 Y239 W244 C253 Q254
BS06	I6L	A	D1083 S1084 L1086 F1087 D1088 P1121 F1152 Y1154 R1157 F1158	D168 S169 L171 F172 D173 P206 F237 Y239 R242 F243

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

External links

• PDB: RCSB:7xub, PDBe:7xub, PDBj:7xub
• PDBsum: 7xub
• PubMed: 36882960
• UniProt: Q96KQ7|EHMT2_HUMAN Histone-lysine N-methyltransferase EHMT2 (Gene Name=EHMT2)