Structure of PDB 7xjb Chain A

Receptor sequence

>7xjbA (length=217) Species: 10116 (Rattus norvegicus)

SMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQI
MDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAIT
QQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLP
DTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLE
YMKVVDGLEKAIYQGPS

3D structure

• PDB: 7xjb Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses.
• Chain: A
• Resolution: 2.6 Å

Enzymatic activity

• 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	SAM	A	M40 N41 V42 G66 Y68 Y71 S72 E90 M91 Y95 A118 S119 D141 H142 W143	M41 N42 V43 G67 Y69 Y72 S73 E91 M92 Y96 A119 S120 D142 H143 W144
BS02	DNI	A	W38 D141 W143 K144 N170 V173 P174 L198 E199 M201	W39 D142 W144 K145 N171 V174 P175 L199 E200 M202
BS03	MG	A	D141 D169 N170	D142 D170 N171

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

External links

• PDB: RCSB:7xjb, PDBe:7xjb, PDBj:7xjb
• PDBsum: 7xjb
• PubMed: 37436881
• UniProt: P22734|COMT_RAT Catechol O-methyltransferase (Gene Name=Comt)