Structure of PDB 7btv Chain B

Receptor sequence

>7btvB (length=272) Species: 9606 (Homo sapiens)

IRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNID
RNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIF
ECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFIC
EYVGELISDAEADVREDDSYLFDLDNGEVYCIDARYYGNISRFINHLCDP
NIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFT
CQCGSEKCKHSAEAIALEQSRL

3D structure

• PDB: 7btv Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
• Chain: B
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1067 Y1154
• Catalytic site (residue number reindexed from 1): Y152 Y237
• 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	C980 C1017 C1023 C1027	C65 C102 C108 C112
BS02	ZN	B	C974 C987 C1017 C1021	C59 C72 C102 C106
BS03	ZN	B	C974 C976 C980 C985	C59 C61 C65 C70
BS04	ZN	B	C1115 C1168 C1170 C1175	C198 C251 C253 C258
BS05	SAM	B	M1048 W1050 Y1085 R1109 F1110 N1112 H1113 Y1154 F1158 F1166 C1168 Q1169	M133 W135 Y170 R192 F193 N195 H196 Y237 F241 F249 C251 Q252
BS06	N47	B	Y1067 D1074 A1077 D1078 D1083 L1086 D1088 C1098 Y1154 R1157 F1158	Y152 D159 A162 D163 D168 L171 D173 C181 Y237 R240 F241	MOAD: ic50=16.9nM

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:7btv, PDBe:7btv, PDBj:7btv
• PDBsum: 7btv
• PubMed: 32781218
• UniProt: Q96KQ7|EHMT2_HUMAN Histone-lysine N-methyltransferase EHMT2 (Gene Name=EHMT2)