Structure of PDB 3mo2 Chain A

Receptor sequence

>3mo2A (length=255) Species: 9606 (Homo sapiens)

IVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITH
LQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHA
CSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGE
LISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVR
VFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSP
KCRHS

3D structure

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

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1124 Y1211
• Catalytic site (residue number reindexed from 1): Y147 Y231
• 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	C1031 C1044 C1074 C1078	C54 C67 C97 C101
BS02	ZN	A	C1037 C1074 C1080 C1084	C60 C97 C103 C107
BS03	ZN	A	C1031 C1033 C1037 C1042	C54 C56 C60 C65
BS04	ZN	A	C1172 C1225 C1227 C1232	C192 C245 C247 C252
BS05	E67	A	D1131 A1134 D1135 R1137 E1138 D1140 S1141 L1143 D1145 Y1211 R1214 F1215	D154 A157 D158 R160 E161 D163 S164 L166 D168 Y231 R234 F235	MOAD: Kd=244nM PDBbind-CN: -logKd/Ki=6.61,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)