Structure of PDB 3fwa Chain A Binding Site BS03

Receptor Information
>3fwa Chain A (length=497) Species: 3467 (Eschscholzia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLLSCLTFNGVRNHTVFSADSDSDFNRFLHLSIQNPLFQNSLISKPSAII
LPGSKEELSNTIRCIRKGSWTIRLRSGGHSYEGLSYTSDTPFILIDLMNL
NRVSIDLESETAWVESGSTLGELYYAITESSSKLGFTAGWAPTVGTGGHI
SGGGFGMMSRKYGLAADNVVDAILIDANGAILDRQAMGEDVFWAIRGGGG
GVWGAIYAWKIKLLPVPEKVTVFRVTKNVAIDEATSLLHKWQFVAEELEE
DFTLSVLGGADEKQVWLTMLGFHFGLKTVAKSTFDLLFPELGLVEEDYLE
MSWGESFAYLAGLETVSQLNNRFLKFDERAFKTKVDLTKEPLPSKAFYGL
LERLSKEPNGFIALNGFGGQMSKISSDFTPFPHRSGTRLMVEYIVAWNQS
EQKKKTEFLDWLEKVYEFMKPFVSKNPRLGYVNHIDLDLGGIDWGNKTVV
NNAIEISRSWGESYFLSNYERLIRAKTLIDPNNVFNHPQSIPPMANF
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 chain3fwa Chain A Residue 526 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fwa A concerted mechanism for berberine bridge enzyme.
Resolution1.496 Å
Binding residue
(original residue number in PDB)		D45 D47
Binding residue
(residue number reindexed from 1)		D20 D22
Annotation score1
Enzymatic activity
Enzyme Commision number 1.21.3.3: reticuline oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0050468 reticuline oxidase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0009820 alkaloid metabolic process
Cellular Component
GO:0031410 cytoplasmic vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fwa, PDBe:3fwa, PDBj:3fwa
PDBsum3fwa
PubMed
UniProtP30986|RETO_ESCCA Reticuline oxidase (Gene Name=BBE1)

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