Structure of PDB 3esy Chain D Binding Site BS01

Receptor Information
>3esy Chain D (length=168) Species: 1168 (Nostoc sp. PCC 7119) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKIGLFYGTQTGKTKSVAEIIRDEFGNDVVTLHDVSQAEVTDLNDYQYLI
IGCPTWNIGKLQSDWEGLYSELDDVDFNGKLVAYFGTGDQIGYADNFQDA
IGILEEKISQRGGKTVGYWSTDGYDFNDSKALRNGKFVGLALDEDNQSDL
TDDRIKSWVAQLKSEFGL
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 chain3esy Chain D Residue 170 [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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PDB3esy Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Resolution2.39 Å
Binding residue
(original residue number in PDB)		T10 Q11 T12 K14 T15 P55 T56 W57 N58 I59 T88 D90 Y94 N97 F98 D146
Binding residue
(residue number reindexed from 1)		T9 Q10 T11 K13 T14 P54 T55 W56 N57 I58 T87 D89 Y93 N96 F97 D145
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0010181 FMN binding
Biological Process
GO:0010106 cellular response to iron ion starvation
GO:0022900 electron transport chain

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3esy, PDBe:3esy, PDBj:3esy
PDBsum3esy
PubMed19150326
UniProtP0A3E0|FLAV_NOSSO Flavodoxin (Gene Name=isiB)

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