Structure of PDB 4pyo Chain B Binding Site BS02
Receptor Information
>4pyo Chain B (length=215) Species:
10116
(Rattus norvegicus) [
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GDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMD
AVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQ
MLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDT
LLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYM
KVVDGLEKAIYQGPS
Ligand information
Ligand ID
MG
InChI
InChI=1S/Mg/q+2
InChIKey
JLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341
[Mg++]
Formula
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
4pyo Chain B Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
4pyo
Mapping the conformational space accessible to catechol-O-methyltransferase.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
D184 D212 N213
Binding residue
(residue number reindexed from 1)
D140 D168 N169
Annotation score
1
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.
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:4pyo
,
PDBe:4pyo
,
PDBj:4pyo
PDBsum
4pyo
PubMed
25084335
UniProt
P22734
|COMT_RAT Catechol O-methyltransferase (Gene Name=Comt)
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