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. 2017 Oct 19;12(10):e0186401. doi: 10.1371/journal.pone.0186401

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