Structure of PDB 3mo5 Chain B

Receptor sequence

>3mo5B (length=258) Species: 9606 (Homo sapiens)

ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNI
THLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECN
HACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYV
GELISDSEADVREEDSYLFDLDNKEVYCIDARFYGNVSRFINHHCEPNLV
PVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRC
GSPKCRHS

3D structure

• PDB: 3mo5 Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
• Chain: B
• Resolution: 2.14 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1124 Y1211
• Catalytic site (residue number reindexed from 1): Y149 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	B	C1031 C1044 C1074 C1078	C56 C69 C99 C103
BS02	ZN	B	C1037 C1074 C1080 C1084	C62 C99 C105 C109
BS03	ZN	B	C1031 C1033 C1037 C1042	C56 C58 C62 C67
BS04	ZN	B	C1172 C1225 C1227 C1232	C195 C248 C250 C255
BS05	E72	B	D1131 A1134 D1135 V1136 D1140 S1141 L1143 D1145 Y1211 R1214 F1215	D156 A159 D160 V161 D165 S166 L168 D170 Y234 R237 F238	MOAD: Kd=136nM BindingDB: IC50=100nM,Kd=136nM

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:3mo5, PDBe:3mo5, PDBj:3mo5
• PDBsum: 3mo5
• PubMed: 20434463
• UniProt: Q9H9B1|EHMT1_HUMAN Histone-lysine N-methyltransferase EHMT1 (Gene Name=EHMT1)