Table 3.
Drug and/or vaccine targets prioritization parameters and functional annotation of the six essential host homologous putative targets.
Gene and protein codes | Official full name | Number of cavities with Drug Scorea > 0.80 |
Number of cavities with Drug Scorea > 0.60 and < 0.80 |
Mol. Wt (KDa)b |
Functionsc | Cellular componentd | Pathwayse | Virulencef |
---|---|---|---|---|---|---|---|---|
Cp1002_0385 Adk |
Adenylate kinase | 1 | 0 | 24.120 |
MF: Kinase, Transferase, ATP binding BP: Nucleotide biosynthesis EC 2.7.4.3 |
Cytoplasm | Purine metabolism; AMP biosynthesis via salvage pathway | Yes |
Cp1002_0692 GapA |
Glyceraldehyde-3-phosphate dehydrogenase A | 2 | 1 | 51.918 |
MF: Oxidoreductase, NAD binding, NADP binding, BP: glucose metabolic process EC 1.2.1.13 |
Cytoplasm | Glycolysis/Gluconeogenesis | Yes |
Cp1002_0728 GlyA |
Serine hydroxymethyltransferase | 2 | 1 | 46.187 |
MF: Methyltransferase, Transferase BP: Amino-acid biosynthesis One-carbon metabolism EC 2.1.2.1 |
Cytoplasm | Amino-acid biosynthesis; glycine biosynthesis; One-carbon metabolism; tetrahydrofolate interconversion. | Yes |
Cp1002_0738 FumC |
Fumaratehydratase class II | 2 | 0 | 49.767 |
MF: Lyase BP: Tricarboxylic acid cycle EC 4.2.1.2 |
Cytoplasm | Carbohydrate metabolism; tricarboxylic acid cycle; (S)-malate from fumarate |
Yes |
Cp1002_1005 Gnd |
6-phosphogluconate dehydrogenase | 3 | 5 | 53.669 |
MF: Oxidoreductase BP: Pentose shunt EC 1.1.1.44 |
Cytoplasm | Carbohydrate degradation; pentose phosphate pathway; | No |
Cp1002_1042 AspA |
Aspartate ammonia-lyase | 2 | 4 | 52.277 |
MF: Lyase EC 4.3.1.1 |
Cytoplasm | Alanine, aspartate and glutamate metabolism, Nitrogen metabolism | Yes |
aDruggability predicted with DoGSiteScorer software. A druggability score above 0.60 is usually considered, but a score above 0.80 is favored [48].
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 pathogen's virulence.