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Table 2 Drug and/or vaccine targets prioritization parameters and functional annotation of the four essential non-host homologous putative targets.

From: Proteome scale comparative modeling for conserved drug and vaccine targets identification in Corynebacterium pseudotuberculosis

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

  1. 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].
  2. bMolecular weight was determined using ProtParam tool (http://web.expasy.org/protparam/).
  3. cMolecular function (MF) and biological process (BP) for each target protein was determined using UniProt.
  4. dCellular localization of pathogen targets was performed using CELLO.
  5. eKEGG was used to find the role of these targets in different cellular pathways.
  6. fPAIDB was used to check if the putative targets are involved in pathogen's virulence.