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Table 2 Molecular weight and druggability characterization of the predicted targets

From: Genomic landscape of the emerging XDR Salmonella Typhi for mining druggable targets clpP, hisH, folP and gpmI and screening of novel TCM inhibitors, molecular docking and simulation analyses

Target Protein Name

Template Coverage / Identity

QMEAN

Z-Scores

QMEANDisCo Scores

Ramachandran Score

Total Pockets

Highly Druggable

M. Wt

(≤  110 KDa)

STY0490 ATP-dependent CLP protease proteolytic subunit clpP

6nb1.1.A

0.95 / 99.03%

0.70

0.85 ± 0.05

94.3%

108

11

21.51KDa

STY2284 Imidazole glycerol phosphate synthase hisH

4gud.1.A

0.90 / 61.03%

−1.25

0.85 ± 0.06

89.9%

6

1

21.71 KDa

STY3473 7,8-dihydropteroate synthase folP

3tzf.1.A

0.98 / 74.18%

0.53

0.88 ± 0.05

90.3%

12

1

30.52 KDa

STY4091 2,3-bisphosphoglycerate-independent phosphoglycerate mutase gpmI

5vpu.1.A

0.99 / 62.33%

−0.78

0.87 ± 0.05

94.8%

15

2

55.56 KDa