Structure of PDB 3mo0 Chain B

Receptor sequence

>3mo0B (length=242) Species: 9606 (Homo sapiens)

IVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITH
LQYCVCIDDCSSSNCMCGQLSMRCPPLIFECNHACSCWRNCRNRVVQNGL
RARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYL
FDLDNKDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRI
AFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS

3D structure

• PDB: 3mo0 Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
• Chain: B
• Resolution: 2.78 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1124 Y1211
• Catalytic site (residue number reindexed from 1): Y131 Y218
• 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	SAH	B	M1105 W1107 S1141 Y1142 R1166 N1169 H1170 Y1211 F1223 C1225 R1226	M112 W114 S148 Y149 R173 N176 H177 Y218 F230 C232 R233	BindingDB: IC50=230nM
BS02	E11	B	A1134 D1135 R1137 D1140 L1143 D1145 F1215	A141 D142 R144 D147 L150 D152 F222
BS03	ZN	B	C1031 C1044 C1074 C1078	C54 C67 C81 C85
BS04	ZN	B	C1074 C1080 C1084	C81 C87 C91
BS05	ZN	B	C1031 C1033 C1037 C1042	C54 C56 C60 C65
BS06	ZN	B	C1172 C1227 C1232	C179 C234 C239
BS07	ZN	B	H1027 H1076 H1185	H50 H83 H192

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
• GO:0046974 histone H3K9 methyltransferase activity

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:3mo0, PDBe:3mo0, PDBj:3mo0
• PDBsum: 3mo0
• PubMed: 20434463
• UniProt: Q9H9B1|EHMT1_HUMAN Histone-lysine N-methyltransferase EHMT1 (Gene Name=EHMT1)