Structure of PDB 6jdk Chain A Binding Site BS02

Receptor Information
>6jdk Chain A (length=514) Species: 402881 (Parvibaculum lavamentivorans DS-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVFDALIVGAGFNGIYQLHRLRQEGFKVRLFEAGADMGGIWYWNCYPGAR
VDSHIPIYEFSIEELWRDWNWTERFPAWDELRRYFHYVDKKLDLSRDIRF
GMRVSAAEFDEARDQWVIRTTDGTVVRARFFILCTGFASKPYIPNYKGLE
SFAGESFHTGLWPQEGASFTGKRVGVVGTGASGVQVVQEASKDAAHLTVF
QRTPILALPMQQRKLDVETQQRMKADYPEIFRIRRETFGGFDILRDERSA
LEVPPEERCALYEKLWQKGGFHYWIGGFSDILTNEEANRTMYDFWRDKTR
ARIKNPALADKLAPMEPPHPFGVKRPSLEQWYYEAFNQDNVSLVDVREMP
IVEIVPEGVLTSDGLVELDMLVLATGFDAVTGGLTQIDIHGTGGITLKEK
WTEGARTYLGFATSGFPNMLFLYGPQSPSGFCNGPTCAEMQGEWVVDCLK
HMRENNKGRIEATAQAEEEWAQLLNSIAGMTLFPRADLNFPGVPIYMDQC
NTAAAKDYEGFVLD
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 chain6jdk Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6jdk Structural basis for the selective addition of an oxygen atom to cyclic ketones by Baeyer-Villiger monooxygenase from Parvibaculum lavamentivorans.
Resolution2.495 Å
Binding residue
(original residue number in PDB)		E126 D129
Binding residue
(residue number reindexed from 1)		E111 D114
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.13.-
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0004499 N,N-dimethylaniline monooxygenase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0050661 NADP binding

View graph for
Molecular Function
External links
PDB RCSB:6jdk, PDBe:6jdk, PDBj:6jdk
PDBsum6jdk
PubMed30914200
UniProtA7HU16|BVMO_PARL1 Baeyer-Villiger monooxygenase (Gene Name=Plav_1781)

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