Structure of PDB 7cvw Chain A Binding Site BS01

Receptor Information
>7cvw Chain A (length=219) Species: 700598 (Niastella koreensis GR20-10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQIFESVDHYISDLLGYEDDALLAATNSLAEAGMPAISVSPNQGKFLQLL
AQLCQAKNILELGTLAGYSTIWMARALPKNGRLITLEYDPKHAAVAQKNI
DRAGLTSQVQIRTGKAIDILPQLVEEGAGPFDMIFIDADKPPYTEYFQWA
LRLSRPGTLIVADNVIRDGKVLDENSTEPAVQGARRFNAMLGANTAVDAT
ILQMVGVKEYDGMALAIVK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7cvw Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cvw Structural and Biochemical analysis of FumaraseC from Mannheimia succiniciproducens
Resolution1.54 Å
Binding residue
(original residue number in PDB)		D139 D165 N166
Binding residue
(residue number reindexed from 1)		D137 D163 N164
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.6: catechol O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7cvw, PDBe:7cvw, PDBj:7cvw
PDBsum7cvw
PubMed
UniProtG8T6H8|CAMT_NIAKG Catechol O-methyltransferase (Gene Name=Niako_0425)

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