Structure of PDB 1nfp Chain A Binding Site BS01

Receptor Information
>1nfp Chain A (length=228) Species: 658 (Photobacterium leiognathi subsp. leiognathi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKWNYGVFFLNFYHVGQQEPSLTMSNALETLRIIDEDTSIYDVVAFSEH
HIDKSYNDETKLAPFVSLGKQIHVLATSPETVVKAAKYGMPLLFKWDDSQ
QKRIELLNHYQAAAAKFNVDIANVRHRLMLFVNVNDNPTQAKAELSIYLE
DYLSYTQAETSIDEIINSNAAGNFDTCLHHVAEMAQGLNNKVDFLFCFES
MKDQENKKSLMINFDKRVINYRKEHNLN
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 chain1nfp Chain A Residue 229 [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]
PDB1nfp Structural refinement of the non-fluorescent flavoprotein from Photobacterium leiognathi at 1.60 A resolution.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		T60 K61 P64 T77 S78 T81
Binding residue
(residue number reindexed from 1)		T60 K61 P64 T77 S78 T81
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0047646 alkanal monooxygenase (FMN-linked) activity

View graph for
Molecular Function
External links
PDB RCSB:1nfp, PDBe:1nfp, PDBj:1nfp
PDBsum1nfp
PubMed7776372
UniProtP09142|LUXF_PHOLE Non-fluorescent flavoprotein (Gene Name=luxF)

[Back to BioLiP]