Structure of PDB 1v5y Chain B Binding Site BS02

Receptor Information
>1v5y Chain B (length=217) Species: 668 (Aliivibrio fischeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THPIIHDLENRYTSKKYDPSKKVSQEDLAVLLEALRLSASSINSQPWKFI
VIESDAAKQRMHDSFANMHQFNQPHIKACSHVILFANKLSYTRDDYDVVL
SKAVADKRITEEQKEAAFASFKFVELNCDENGEHKAWTKPQAYLALGNAL
HTLARLNIDSTTMEGIDPELLSEIFADELKGYECHVALAIGYHHPSEDYN
ASLPKSRKAFEDVITIL
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 chain1v5y Chain B Residue 454 [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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PDB1v5y Binding of coumarins to NAD(P)H:FMN oxidoreductase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R12 Y13 T14 K16 N73 T163 M164 E165 G166 K206 R208
Binding residue
(residue number reindexed from 1)		R11 Y12 T13 K15 N72 T162 M163 E164 G165 K205 R207
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K16 H76 E165
Catalytic site (residue number reindexed from 1) K15 H75 E164
Enzyme Commision number 1.6.99.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Biological Process
GO:0008218 bioluminescence

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1v5y, PDBe:1v5y, PDBj:1v5y
PDBsum1v5y
PubMed
UniProtP46072|FRA1_ALIFS Major NAD(P)H-flavin oxidoreductase

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