Structure of PDB 7bn6 Chain B Binding Site BS01

Receptor Information
>7bn6 Chain B (length=381) Species: 130081 (Galdieria sulphuraria) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKLLEPFDLNGLELANRMVMAPLTRNRAGPRFVPTKMNALYYAQRSGLG
LIITEATQISQQGMGYPDTPGIYTDEQVDGWRMVTEAVHRREGCIFLQLW
HVGRVSHSSFQPNGQLPVAPSAIAPEGEVMTYDGIKPFETPRALETEEVA
HIVEDYRKAAINAKRAGFDGIEIHSANGYLLHEFLEDGTNKRTDRYGGSI
ENRARIVFEVLDAVCKVYPSRRVGIRLSPDTEFMSMSDSDRPALYSYLVQ
ELSRRELAYLHLIEPRIKGNVDVEKESSLNVEFFRPLYKGVLITAGGYQK
ETGEERLQKQHADLVAYGRWVIANPDLPSRFEQNAPLNPYDRATFYGGNE
KGYTDYPFLDPRDSQEALKEAEAAERKWRRL
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 chain7bn6 Chain B Residue 401 [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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PDB7bn6 Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Resolution1.5 Å
Binding residue
(original residue number in PDB)		P23 L24 T25 A56 Q98 H174 R226 I267 N270 G296 G297 Y317 G318 R319 F345 Y346
Binding residue
(residue number reindexed from 1)		P23 L24 T25 A56 Q98 H174 R226 I267 N270 G296 G297 Y317 G318 R319 F345 Y346
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7bn6, PDBe:7bn6, PDBj:7bn6
PDBsum7bn6
PubMed
UniProtM2XAQ9

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