Structure of PDB 7blf Chain B Binding Site BS01

Receptor Information
>7blf Chain B (length=404) Species: 332648 (Botrytis cinerea B05.10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLNTPAPGVPFYTPLQSPPSGTALHLSPSTPKLFTPLKIRSLTLQNRIML
SPMCQYSASNGHFTPWHMAHLGGIISRGPGLSMVEATSVLPEGRITPEDS
GLWLDSQGDKLKEVVQFAHSQGQLIGIQLSHAGRKASMVAPWLDRSAVAT
EEAGGWPTKVKGPSAIPYDEHHYKPSAMTLEDIQEFKDAWAASLKRALKA
GFDVIEIHNAHGYLLHEFVSPVSNKRTDQYGGSFENRIRLTLEIVEITRK
IIPESMPLFLRISATDWLDYEGFGEESWTVADSARLAGILADRGVDLMDV
SSGANHPRQKITAGLGYQAPFAKEIKRVVGERMLVGTVGMIGSGRQAEGL
LSGMGGERGVDEGKGTELDLVIVARGFQKNPGLVWEWAEELGVRIMVAHQ
MRWG
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 chain7blf 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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PDB7blf Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Resolution2.15 Å
Binding residue
(original residue number in PDB)		S73 P74 M75 C76 A108 Q150 H230 H233 R283 V360 G361 M362 A401 R402
Binding residue
(residue number reindexed from 1)		S51 P52 M53 C54 A86 Q128 H208 H211 R261 V338 G339 M340 A374 R375
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003959 NADPH dehydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding

View graph for
Molecular Function
External links
PDB RCSB:7blf, PDBe:7blf, PDBj:7blf
PDBsum7blf
PubMed
UniProtA0A384K246

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