Structure of PDB 3u81 Chain A

Receptor sequence
>3u81A (length=218) Species: 10116 (Rattus norvegicus) [Search protein sequence]
GDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMD
AVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQ
MLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDT
LLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYM
KVVDGLEKAIYQGPSSPD
3D structure
PDB3u81 Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.
ChainA
Resolution1.13 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D141 K144 D169 N170 E199
Catalytic site (residue number reindexed from 1) D140 K143 D168 N169 E198
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 SAH A K46 G66 Y68 S72 E90 I91 A118 S119 D141 H142 K45 G65 Y67 S71 E89 I90 A117 S118 D140 H141 MOAD: Ki=36uM
PDBbind-CN: -logKd/Ki=4.44,Ki=36uM
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:3u81, PDBe:3u81, PDBj:3u81
PDBsum3u81
PubMed22349227
UniProtP22734|COMT_RAT Catechol O-methyltransferase (Gene Name=Comt)

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