Structure of PDB 7xub Chain B

Receptor sequence

>7xubB (length=266) Species: 9606 (Homo sapiens)

RTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDR
NITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFE
CNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICE
YVGELISDAEADVREDDSYLFDLDNEVYCIDARYYGNISRFINHLCDPNI
IPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQ
CGSEKCKHSAEAIALE

3D structure

• PDB: 7xub Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
• Chain: B
• 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	B	C974 C987 C1017 C1021	C58 C71 C101 C105
BS02	ZN	B	C980 C1017 C1023 C1027	C64 C101 C107 C111
BS03	ZN	B	C974 C976 C980 C985	C58 C60 C64 C69
BS04	ZN	B	C1115 C1168 C1170 C1175	C196 C249 C251 C256
BS05	SFG	B	M1048 W1050 S1084 Y1085 R1109 F1110 N1112 H1113 Y1154 C1168	M132 W134 S168 Y169 R190 F191 N193 H194 Y235 C249
BS06	I6L	B	D1083 L1086 F1087 D1088 P1121 R1123 F1152 Y1154 R1157 F1158	D167 L170 F171 D172 P202 R204 F233 Y235 R238 F239

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)