Structure of PDB 7buc Chain A

Receptor sequence

>7bucA (length=273) Species: 9606 (Homo sapiens)

TEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRN
ITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFEC
NQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEY
VGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDP
NIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFT
CQCGSEKCKHSAEAIALEQSRLA

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: A
• Resolution: 2.6 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1067 Y1154
• Catalytic site (residue number reindexed from 1): Y150 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	A	C980 C1017 C1023 C1027	C63 C100 C106 C110
BS02	ZN	A	C974 C1017 C1021	C57 C100 C104
BS03	ZN	A	C974 C976 C980 C985	C57 C59 C63 C68
BS04	ZN	A	C1115 C1168 C1170	C198 C251 C253
BS05	SAM	A	M1048 W1050 S1084 Y1085 R1109 F1110 N1112 H1113 Y1154 F1166 C1168 Q1169	M131 W133 S167 Y168 R192 F193 N195 H196 Y237 F249 C251 Q252
BS06	F80	A	A1077 D1078 D1083 S1084 L1086 D1088 C1098 Y1154 R1157 F1158	A160 D161 D166 S167 L169 D171 C181 Y237 R240 F241

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)