Structure of PDB 3r6t Chain A

Receptor sequence
>3r6tA (length=213) Species: 10116 (Rattus norvegicus) [Search protein sequence]
DTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDA
VIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQM
LNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTL
LLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMK
VVDGLEKAIYQGP
3D structure
PDB3r6t Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.
ChainA
Resolution1.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D184 K187 D212 N213 E242
Catalytic site (residue number reindexed from 1) D139 K142 D167 N168 E197
Enzyme Commision number 2.1.1.6: catechol O-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 MG A D184 D212 N213 D139 D167 N168
BS02 LU1 A W81 M83 E133 I134 S162 D184 H185 W186 K187 N213 P217 L241 E242 W36 M38 E88 I89 S117 D139 H140 W141 K142 N168 P172 L196 E197 MOAD: ic50=1368nM
PDBbind-CN: -logKd/Ki=5.86,IC50=1.368uM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008171 O-methyltransferase activity
GO:0016206 catechol O-methyltransferase activity
Biological Process
GO:0006584 catecholamine metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3r6t, PDBe:3r6t, PDBj:3r6t
PDBsum3r6t
PubMed22349227
UniProtP22734|COMT_RAT Catechol O-methyltransferase (Gene Name=Comt)

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