Structure of PDB 7blf Chain A Binding Site BS01
Receptor Information
>7blf Chain A (length=406) Species:
332648
(Botrytis cinerea B05.10) [
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LNTPAPGVPFYTPLQSPPSGTALHLSPSTPKLFTPLKIRSLTLQNRIMLS
PMCQYSASNGHFTPWHMAHLGGIISRGPGLSMVEATSVLPEGRITPEDSG
LWLDSQGDKLKEVVQFAHSQGQLIGIQLSHAGRKASMVAPWLDRSAVATE
EAGGWPTKVKGPSAIPYDEHHYKPSAMTLEDIQEFKDAWAASLKRALKAG
FDVIEIHNAHGYLLHEFVSPVSNKRTDQYGGSFENRIRLTLEIVEITRKI
IPESMPLFLRISATDWLDYEGFGEESWTVADSARLAGILADRGVDLMDVS
SGANHPRQKITAGLGYQAPFAKEIKRVVGERMLVGTVGMIGSGRQAEGLL
SGMGGERGVDEGEKGTELDLVIVARGFQKNPGLVWEWAEELGVRIMVAHQ
MRWGFR
Ligand information
Ligand ID
FMN
InChI
InChI=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
InChIKey
FVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01
N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
Formula
C17 H21 N4 O9 P
Name
FLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBL
CHEMBL1201794
DrugBank
DB03247
ZINC
ZINC000003831425
PDB chain
7blf Chain A Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
7blf
Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Resolution
2.15 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)
S50 P51 M52 C53 A85 Q127 H207 H210 R260 V337 G338 M339 A374 R375
Annotation score
1
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
PDBsum
7blf
PubMed
UniProt
A0A384K246
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