Structure of PDB 4uwm Chain B Binding Site BS01

Receptor Information
>4uwm Chain B (length=362) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAMETGLIFHPYMRPGRSARQTFDWGIKSAVQADSVGIDSMMISEHASQI
WENIPNPELLIAAAALQTKNIKFAPMAHLLPHQHPAKLATMIGWLSQILE
GRYFLGIGAGAYPQASYMHGIRNATKNLNDMVRESLFIMEKIWKREPFFH
EGKYWDAGYPEELEDEQHKLADFSPWGGKAPEIAVTGFSYNSPSMRLAGE
RNFKPVSIFSGLDALKRHWEVYSEAAIEAGHTPDRSRHAVSHTVFCADTD
KEAKRLVMEGPIGYCFERYLIPIWRRFGMMDGYAKDAGIDPVDADLEFLV
DNVFLVGSPDTVTEKINALFEATGGWGTLQVEAHDYYDDPAPWFQSLELI
SKEVAPKILLPK
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain4uwm Chain B Residue 400 [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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PDB4uwm The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H10 M76 A77 T201 F203 S204 S207 P208 S209
Binding residue
(residue number reindexed from 1)		H10 M76 A77 T186 F188 S189 S192 P193 S194
Annotation score2
Enzymatic activity
Enzyme Commision number 1.14.14.155: 3,6-diketocamphane 1,2-monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4uwm, PDBe:4uwm, PDBj:4uwm
PDBsum4uwm
PubMed26527149
UniProtD7UER1|36DKM_PSEPU 3,6-diketocamphane 1,6-monooxygenase (Gene Name=camE36)

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