Structure of PDB 7qfx Chain E Binding Site BS01

Receptor Information
>7qfx Chain E (length=409) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIKVEPAKGISYFTPAQETPAGTAANPQTSGKAIPKLFQPITIRGLTFQN
RLGVSPMCQYSAEDGHMTDYHLAHLGGIAQRGPGLIMIEATAVQPEGRIS
PQDVGLWKDSQIAPIARVIEFAHSQGQKIGIQLAHAGRKASTTVPWMLNH
GSIATENVGGWPDNVKGPSDIPFSETFPRPRAMTQDDIREFKEAWVAAAK
RALVAGADFIEIHNAHGYLLASFLTPYANKRTDEYGGSFENRMRLPLKIA
QLTRDTVGEHVPVFLRLSASDWLGTETWDLQHAVRFAEALADQGAIDLVD
VSSGGLHSSQEVKSGPGFQAPFGIAVKKAVGERMLVATVGHIRDGKLANR
LLEEEGLDVVLVGRGFQKDPGLVWTFAQHLDVEVAMPGQIRWGFSKRRGT
PFVDPSVYK
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 chain7qfx Chain E Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7qfx The Family Keeps on Growing: Four Novel Fungal OYEs Characterized.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S57 P58 M59 C60 A92 Q134 H215 H218 R268 V344 G345 H346 G368 R369
Binding residue
(residue number reindexed from 1)		S55 P56 M57 C58 A90 Q132 H213 H216 R266 V339 G340 H341 G363 R364
Annotation score1
Enzymatic activity
Enzyme Commision number 1.-.-.-
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:7qfx, PDBe:7qfx, PDBj:7qfx
PDBsum7qfx
PubMed35328465
UniProtA2QBV3

[Back to BioLiP]