Structure of PDB 3mo2 Chain C

Receptor sequence

>3mo2C (length=258) Species: 9606 (Homo sapiens)

VERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRN
ITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFEC
NHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEY
VGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLV
PVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRC
GSPKCRHS

3D structure

• PDB: 3mo2 Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
• Chain: C
• Resolution: 2.49 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1124 Y1211
• Catalytic site (residue number reindexed from 1): Y150 Y234
• 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	C	C1031 C1044 C1074 C1078	C57 C70 C100 C104
BS02	ZN	C	C1037 C1074 C1080 C1084	C63 C100 C106 C110
BS03	ZN	C	C1031 C1033 C1037 C1042	C57 C59 C63 C68
BS04	ZN	C	C1172 C1225 C1227 C1232	C195 C248 C250 C255
BS05	SAH	C	M1105 W1107 S1141 Y1142 R1166 N1169 H1170 Y1211 R1226	M131 W133 S167 Y168 R189 N192 H193 Y234 R249	BindingDB: IC50=230nM
BS06	E67	C	D1131 D1135 R1137 D1140 S1141 L1143 D1145 Y1211 R1214 F1215 K1219	D157 D161 R163 D166 S167 L169 D171 Y234 R237 F238 K242	MOAD: Kd=244nM

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:3mo2, PDBe:3mo2, PDBj:3mo2
• PDBsum: 3mo2
• PubMed: 20434463
• UniProt: Q9H9B1|EHMT1_HUMAN Histone-lysine N-methyltransferase EHMT1 (Gene Name=EHMT1)