Structure of PDB 2hfo Chain I Binding Site BS01

Receptor Information
>2hfo Chain I (length=142) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLYRLIYSSQGIPNLQPQDLKDILESSQRNNPANGITGLLCYSKPAFLQ
VLEGECEQVNETYHRIVQDERHHSPQIIECMPIRRRNFEVWSMQAITVND
LSTEQVKTLVLKYSGFTTLRPSAMDPEQCLNFLLDIAKIYEL
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 chain2hfo Chain I Residue 154 [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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PDB2hfo Crystal structures of the Synechocystis photoreceptor Slr1694 reveal distinct structural states related to signaling.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		I27 S30 S31 R33 N34 N35 F51 Q53 R68 I69 D72 H75
Binding residue
(residue number reindexed from 1)		I24 S27 S28 R30 N31 N32 F48 Q50 R65 I66 D69 H72
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005515 protein binding
GO:0009882 blue light photoreceptor activity
GO:0042802 identical protein binding
GO:0071949 FAD binding
Biological Process
GO:0009785 blue light signaling pathway

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2hfo, PDBe:2hfo, PDBj:2hfo
PDBsum2hfo
PubMed17042486
UniProtP74295

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