Structure of PDB 4c0w Chain A Binding Site BS01

Receptor Information
>4c0w Chain A (length=200) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLLHIDSSILGDNSASRQLSREVVEAWKAADPSVEVVYRDLAADAIAHF
SAATLVAAGTPEDVRDAAQAFEAKLSAETLEEFLAADAVVIGAPMYNFTV
PTQLKAWIDRVAVAGKTFRYTEAGPQGLCGNKKVVLVSTAGGLHAGQPTG
AGHEDFLKVFLGFIGITDLEIVRAHGLAYGPEQRSQAIDAAQAQIASELF
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 chain4c0w Chain A Residue 1201 [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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PDB4c0w The Crystal Structure of Pseudomonas Putida Azor: The Active Site Revisited.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S9 L11 S15 A16 S17 P94 M95 Y96 N97 A140 G141 G142 F200
Binding residue
(residue number reindexed from 1)		S9 L11 S15 A16 S17 P94 M95 Y96 N97 A140 G141 G142 F200
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.5.-
1.7.1.17: FMN-dependent NADH-azoreductase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016652 oxidoreductase activity, acting on NAD(P)H as acceptor
GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor

View graph for
Molecular Function
External links
PDB RCSB:4c0w, PDBe:4c0w, PDBj:4c0w
PDBsum4c0w
PubMed24127652
UniProtQ88IY3|AZOR1_PSEPK FMN-dependent NADH:quinone oxidoreductase 1 (Gene Name=azoR1)

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