Structure of PDB 7dcf Chain B

Receptor sequence

>7dcfB (length=259) Species: 9606 (Homo sapiens)

KIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNIT
HLQHCTCVDDCSSSNCLCGQLSIRCWYDKRLLQEFNEPPLIFECNQACSC
WRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELIS
DAEADVREDDSYLFDLDNKEVYCIDARYYGNISRFINHLCDPNIIPVRVF
MLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKC
KHSAEAIAL

3D structure

• PDB: 7dcf Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease.
• Chain: B
• Resolution: 1.8 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1067 Y1154
• Catalytic site (residue number reindexed from 1): Y144 Y229
• 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	C61 C94 C100 C104
BS02	ZN	B	C974 C987 C1017 C1021	C55 C68 C94 C98
BS03	ZN	B	C974 C976 C980 C985	C55 C57 C61 C66
BS04	ZN	B	C1115 C1168 C1170 C1175	C190 C243 C245 C250
BS05	SAM	B	M1048 W1050 S1084 Y1085 R1109 F1110 N1112 H1113 Y1154 F1158 C1168	M125 W127 S161 Y162 R184 F185 N187 H188 Y229 F233 C243
BS06	H30	B	D1078 D1083 S1084 L1086 D1088 Y1154 R1157 F1158 I1161	D155 D160 S161 L163 D165 Y229 R232 F233 I236

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:7dcf, PDBe:7dcf, PDBj:7dcf
• PDBsum: 7dcf
• PubMed: 33488973
• UniProt: Q96KQ7|EHMT2_HUMAN Histone-lysine N-methyltransferase EHMT2 (Gene Name=EHMT2)