Table 2. Drug and/or vaccine target prioritization parameters and functional annotation of the eight essential non-host homologous putative targets.
Gene and protein codes | Official full name | Cavities with DSa > 0.80 | Cavities with DSa,g > 0.60 and < 0.80 | Mol. Wtb (KDa) |
Functionsc | Cellular componentd | Pathwayse | Virulencef |
---|---|---|---|---|---|---|---|---|
NP_939692.1, nusB | Transcription antitermination protein NusB/ N utilization substance protein B homolog | 0 | 2 | 20.382 |
MF: RNA binding. BP: DNA-templated transcription, termination, regulation of transcription, DNA-templated. |
Cytoplasm |
unknown | No |
NP_939612.1, hisE | Phosphoribosyl-ATP pyrophosphatase | 0 | 1 | 9.877 |
MF: RNA binding, phosphoribosyl-ATP diphosphatase activity BP: histidine biosynthetic process |
Cytoplasm |
Biosynthesis of amino acids | Yes |
NP_939445.1, DIP1084 |
Iron ABC transporter membrane protein/ Putative iron transport membrane protein, FecCD-family | 2 | 3 | 35.470 |
MF: Transporter activity BP: Transport |
Membrane |
The ATP-binding cassette (ABC) transporters form one of the largest known protein families | Yes |
NP_939345.1, DIP0983 |
Hypothetical protein DIP0983/ Uncharacterized protein | 0 | 4 | 28.193 |
MF: possible lysine decarboxylases (Pfam)/52% sequence identity with PDB Template 1WEK. BP: A pyridoxal-phosphate protein. Also acts on 5-hydroxy-L-lysine (IUBMB Comments) |
Cytoplasm |
unknown | Yes |
NP_939302.1, glpX | Fructose 1,6-bisphosphatase II | 3 | 2 | 35.589 |
MF: fructose 1,6-bisphosphate 1-phosphatase activity, metal ion binding. BP: gluconeogenesis, glycerol metabolic process |
Carbohydrate Metabolism | No | |
NP_939123.1, smpB | SsrA-binding protein | 1 | 2 | 18.784 | MF: RNA binding | Cytoplasm | unknown | Yes |
NP_938900.1, rpsH |
30S ribosomal protein S8 | 1 | 1 | 14.292 |
MF: rRNA binding, structural constituent of ribosome BP: Translation |
Extracellula/ Cytoplasm |
unknown | No |
NP_938502.1, bioB |
Biotin synthase | 3 | 1 | 38.224 |
MF: 2 iron, 2 sulfur cluster binding, 4 iron 4 sulfur cluster binding, biotin synthase activity, iron ion binding BP: biotin biosynthetic process |
Cytoplasm | Biotin metabolism | Yes |
aDruggability predicted with DoGSiteScorer software. A druggability score above 0.60 is considered to be good, but a score above 0.80 is favored [32].
bMolecular weight was determined using ProtParam tool (http://web.expasy.org/protparam/).
cMolecular function (MF) and biological process (BP) for each target protein was determined using UniProt.
dCellular localization of pathogen targets was performed using CELLO.
eKEGG was used to find the role of these targets in different cellular pathways.
fPAIDB was used to check if the putative targets are involved in the pathogen’s virulence.
gDS = Drug Score