Structure of PDB 1obv Chain A Binding Site BS01

Receptor Information
>1obv Chain A (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
IIGCPTWNIGELQSDWEGLYSELDDVDFNGKLVAYFGTGDQIGFADNFQD
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 chain1obv Chain A Residue 1170 [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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PDB1obv How Fmn Binds to Anabaena Apoflavodoxin: A Hydrophobic Encounter at an Open Binding Site
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T1010 Q1011 T1012 K1014 T1015 P1055 T1056 W1057 I1059 T1088 G1089 D1090 F1094 N1097 F1098 D1146
Binding residue
(residue number reindexed from 1)		T10 Q11 T12 K14 T15 P55 T56 W57 I59 T88 G89 D90 F94 N97 F98 D146
Annotation score4
Binding affinityMOAD: Kd=1.04nM
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:1obv, PDBe:1obv, PDBj:1obv
PDBsum1obv
PubMed12682068
UniProtP0A3E0|FLAV_NOSSO Flavodoxin (Gene Name=isiB)

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