Structure of PDB 7buc Chain B

Receptor sequence

>7bucB (length=269) Species: 9606 (Homo sapiens)

TEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRN
ITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFEC
NQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEY
VGELISDAEADVREDDSYLFDLDEVYCIDARYYGNISRFINHLCDPNIIP
VRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCG
SEKCKHSAEAIALEQSRLA

3D structure

• PDB: 7buc 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: 2.6 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1067 Y1154
• Catalytic site (residue number reindexed from 1): Y150 Y233
• 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	C1017 C1023 C1027	C100 C106 C110
BS02	ZN	B	C974 C987 C1017 C1021	C57 C70 C100 C104
BS03	ZN	B	C974 C976 C980 C985	C57 C59 C63 C68
BS04	ZN	B	C1115 C1168 C1170 C1175	C194 C247 C249 C254
BS05	SAM	B	M1048 W1050 Y1085 R1109 N1112 H1113 Y1154 F1166 C1168 Q1169	M131 W133 Y168 R188 N191 H192 Y233 F245 C247 Q248
BS06	F80	B	A1077 D1078 D1083 S1084 L1086 D1088 C1098 Y1154 R1157 F1158	A160 D161 D166 S167 L169 D171 C177 Y233 R236 F237

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