Structure of PDB 1obo Chain B Binding Site BS01

Receptor Information
>1obo Chain B (length=169) Species: 1168 (Nostoc sp. PCC 7119) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKKIGLFYGTQTGKTESVAEIIRDEFGNDVVTLHDVSQAEVTDLNDYQYL
IIGCPTLNIGELQSDWEGLYSELDDVDFNGKLVAYFGTGDQIGYADNFQD
AIGILEEKISQRGGKTVGYWSTDGYDFNDSKALRNGKFVGLALDEDNQSD
LTDDRIKSWVAQLKSEFGL
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 chain1obo Chain B Residue 2170 [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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PDB1obo How Fmn Binds to Anabaena Apoflavodoxin: A Hydrophobic Encounter at an Open Binding Site
Resolution1.2 Å
Binding residue
(original residue number in PDB)		T2010 Q2011 T2012 K2014 T2015 T2056 N2058 I2059 T2088 G2089 D2090 Y2094 N2097 F2098 D2146
Binding residue
(residue number reindexed from 1)		T10 Q11 T12 K14 T15 T56 N58 I59 T88 G89 D90 Y94 N97 F98 D146
Annotation score4
Binding affinityMOAD: Kd=6.72nM
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:1obo, PDBe:1obo, PDBj:1obo
PDBsum1obo
PubMed12682068
UniProtP0A3E0|FLAV_NOSSO Flavodoxin (Gene Name=isiB)

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