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Bulletin of the National Research Centre

Table 4 Evaluation of the polar interaction of antibiotics with Stx2

From: Structural basis to identify a target site in Shiga toxin for the inhibitor discovery against growth of Shiga toxin-producing E. coli

SN

Name

CID number

Binding affinity

Amino acids residues of Stx2 showing polar interaction with antibiotics

Whether blocking Y77-E259 or Y114-E167 interaction

1

Oritavancin diphosphate (Chen and Lu 2020)

53297457

 − 14

Y77, Y114, R125, L200, E259

No

2

TELAVANCIN HYDROCHLORIDE (Chen and Lu 2020)

9812715

 − 14

Y114, I271

No

3

Daptomycin (Chen and Lu 2020)

16134395

 − 11

D94, S112, R204, Q261, I262,

No

  1. Bold indicated y77, E259, and Y114, E167 are interacting with each other in Stx2, however, peptides are interacting with these peptides and inhibiting the interaction
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