Structure of PDB 5ttg Chain A

Receptor sequence

>5ttgA (length=260) Species: 9606 (Homo sapiens)

VERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRN
ITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFEC
NHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEY
VGELISDSEADVREEDSYLFDLDNDGEVYCIDARFYGNVSRFINHHCEPN
LVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSC
RCGSPKCRHS

3D structure

• PDB: 5ttg Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
• Chain: A
• Resolution: 1.66 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1155 Y1242
• Catalytic site (residue number reindexed from 1): Y150 Y236
• 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	SAM	A	M1136 G1137 W1138 S1172 Y1173 R1197 F1198 N1200 H1201 Y1242 C1256 R1257	M131 G132 W133 S167 Y168 R191 F192 N194 H195 Y236 C250 R251
BS02	7KZ	A	A1165 D1166 D1171 L1174 D1176 R1245 F1246 K1250	A160 D161 D166 L169 D171 R239 F240 K244	PDBbind-CN: -logKd/Ki=7.34,Kd=46nM BindingDB: Kd=46nM,IC50=7.0nM
BS03	ZN	A	C1062 C1075 C1105 C1109	C57 C70 C100 C104
BS04	ZN	A	C1068 C1105 C1111 C1115	C63 C100 C106 C110
BS05	ZN	A	C1062 C1064 C1068 C1073	C57 C59 C63 C68
BS06	ZN	A	C1203 C1256 C1258 C1263	C197 C250 C252 C257

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:5ttg, PDBe:5ttg, PDBj:5ttg
• PDBsum: 5ttg
• PubMed: 28135087
• UniProt: Q9H9B1|EHMT1_HUMAN Histone-lysine N-methyltransferase EHMT1 (Gene Name=EHMT1)