Structure of PDB 4hh0 Chain B Binding Site BS01

Receptor Information
>4hh0 Chain B (length=382) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLVSCSYRSLAAPDLTLRDLLDIVETSQAHNARAQLTGALFYSQGVFFQW
LEGRPAAVAEVMTHIQRDRRHSNVEILAEEPIAKRRFAGWHMQLSCSEAD
MRSLGLSRQIVTVGRSLVADNTNIFSFDRIAAVRRFLSDVCAARTLAPDT
PVEADTFALYALTEAQAGRSGRAKAVARLSDLLSTDPLGRLTEVEELLRA
HAPTAADFARLFEACAERLTRALAEDRISRMQVTLAYSALQMALRRIHHL
PDPQKSVGAVLVAGVPGHKPILEAALAAEMLRAVGWSTSVVHPESVAALA
ARLKTSRTSTLVVAPSLLEGTEQEADTLRFVSALRARTDLPGLSILVGGR
LAQLPPSKLKDSGADAGFAHLALLPAALARVA
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 chain4hh0 Chain B Residue 501 [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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PDB4hh0 A ternary AppA-PpsR-DNA complex mediates light regulation of photosynthesis-related gene expression.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y21 I37 S41 H44 N45 F61 Q63 V75 H78 I79 D82 H85
Binding residue
(residue number reindexed from 1)		Y7 I23 S27 H30 N31 F47 Q49 V61 H64 I65 D68 H71
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009882 blue light photoreceptor activity
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:4hh0, PDBe:4hh0, PDBj:4hh0
PDBsum4hh0
PubMed23728293
UniProtQ53119

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