Table 2.
Drug and/or vaccine targets prioritization parameters and functional annotation of the four essential non-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_0515 MtrA |
DNA-binding response regulator mtrA | 1 | 2 | 25.97 | MF: DNA binding, two-component response regulator activity. BP: Intracellular signal transduction, regulation of transcription, DNA-dependent | Intracellular/ Cytoplasm |
Two-component signaling systems | Yes |
| Cp1002_0742 IspH |
4-hydroxy-3-methylbut-2-enyl diphosphatereductase | 1 | 4 | 36.59 |
MF: Metal ion binding, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate reductase activity, 3 iron, 4 sulfur cluster binding EC: 1.17.1.2 BP: Dimethylallyldiphosphate biosynthetic process, isopentenyldiphosphate biosynthetic process, mevalonate-independent pathway |
Cytoplasm | Inositol phosphate metabolism/ Pentose phosphate pathway/Terpene metabolism | Yes |
| Cp1002_1648 TcsR |
Two-component system transcriptional regulatory protein | 3 | 2 | 21.93 |
MF: Sequence-specific DNA binding, two-component response regulator activity, sequence-specific DNA binding transcription factor activity BP: Intracellular signal transduction, transcription, DNA-dependent |
Intracellular/ Cytoplasm |
Two-component system | Yes |
| Cp1002_1676 Nrdl |
Ribonucleoside-diphosphatereductase alpha chain | 1 | 1 | 88.02 |
MF: ATP binding, ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor BP: DNA replication |
Cytoplasm | Pyrimidine metabolism/ Purine 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 [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.