Structure of PDB 4pyn Chain A

Receptor sequence
>4pynA (length=219) Species: 10116 (Rattus norvegicus) [Search protein sequence]
GDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMD
AVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQ
MLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDT
LLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYM
KVVDGLEKAIYQGPSSPDK
3D structure
PDB4pyn Mapping the conformational space accessible to catechol-O-methyltransferase.
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) 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 K89 G109 Y111 S115 E133 I134 S162 D184 H185 K45 G65 Y67 S71 E89 I90 S118 D140 H141 MOAD: ic50~30uM
PDBbind-CN: -logKd/Ki=4.52,IC50~30uM
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:4pyn, PDBe:4pyn, PDBj:4pyn
PDBsum4pyn
PubMed25084335
UniProtP22734|COMT_RAT Catechol O-methyltransferase (Gene Name=Comt)

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