Structure of PDB 6gy1 Chain A

Receptor sequence
>6gy1A (length=212) Species: 10116 (Rattus norvegicus) [Search protein sequence]
DTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDA
VIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQM
LNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTL
LLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMK
VVDGLEKAIYQG
3D structure
PDB6gy1 Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase.
ChainA
Resolution2.1 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) D141 K144 D169 N170 E199
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 D141 D169 N170 D139 D167 N168
BS02 SAH A M40 V42 G66 A67 Y68 S72 E90 M91 Y95 A118 S119 D141 H142 W143 M38 V40 G64 A65 Y66 S70 E88 M89 Y93 A116 S117 D139 H140 W141
BS03 FGQ A M40 D141 H142 W143 K144 N170 E199 M38 D139 H140 W141 K142 N168 E197 MOAD: ic50=0.501uM
PDBbind-CN: -logKd/Ki=6.30,IC50=0.50uM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6gy1, PDBe:6gy1, PDBj:6gy1
PDBsum6gy1
PubMed30272964
UniProtP22734|COMT_RAT Catechol O-methyltransferase (Gene Name=Comt)

[Back to BioLiP]