Table 2 Hydrogen bonding interactions between MMβA-mono and the Stx2a A-subunit.

From: Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin

MMβA-mono Wat Stx2 Hydrogen bond Distance
Donor Acceptor
Arg6 Wat101 (G) Asp94 (A) Arg6 NH1 Wat101 2.61
Arg6 Wat101 (G) Asp94 (A) Wat101(G) Asp94 O 2.93
Arg7   Thr115 (A) Arg7 NH2 Thr115 OG1 3.20
Arg7   Thr115 (A) Arg7 NH1 Thr115 OG1 3.28
Arg7   Asp70 (D)* Arg7 NH2 Asp70 OXT 2.76
Arg7   Asp70 (D)* Arg7 NE Asp70 OXT 3.02
Arg7 Wat102 (G) Lys5 (D)* Arg7 NH1 Wat102 O 2.72
Arg7 Wat102 (G) Lys5 (D)* Wat102 Lys5 O 3.27
Arg8   Tyr114 (A) Tyr114 N Arg8 O 3.07
Arg8 Wat104 (G) Thr115 (A) Arg8 N Wat104 3.46
Arg8 Wat104 (G) Thr115 (A) Wat104 Thr115 OG1 2.92
Arg8   Thr199 (A) Arg8 NH2 Thr199 O 2.91
Arg8   Glu167 (A) Arg8 NH2 Glu167 OE1 3.09
Arg8   Glu167 (A) Arg8 NH1 Glu167 OE2 2.86
Arg8 Wat105 (G) Gly203 (A) Gly203 N Wat105 O 3.17
Arg8 Wat105 (G) Gly203 (A) Arg8 NE Wat105 O 3.01
Arg9   Asp94 (A) Arg9 NE Asp94 OD2 2.94
Arg9   Asp94 (A) Arg9 NH2 Asp94 O 3.04
Arg9 Wat318 (A) Tyr77 (A) Arg9 N Wat318 O 2.91
Arg9 Wat318 (A) Tyr77 (A) Wat318 O Tyr77 OH 2.57
Arg9 Wat346 (A) Glu72 (A) Arg9 NH2 Wat346 O 3.01
Arg9 Wat346 (A) Glu72 (A) Arg9 NH1 Wat346 O 3.26
Arg9 Wat346 (A) Glu72 (A) Wat346 O Glu72 OE1 2.70
Ala10   Val78 (A) Val78 N Ala10 O 2.83
Ala10   Ser112 (A) Ala10 NT Ser112 OG 2.99
Ala10   Val78 (A) Ala10 NT Val78 O 3.01
Ala10   Ser112 (A) Ala10 N Ser112 OG 3.56
Ala10 Wat103 (G) Arg170 (A) Arg170 NH1 Wat103 O 2.90
Ala10 Wat103 (G) Arg170 (A) Arg170 NH2 Wat103 O 3.05
Ala10 Wat103 (G) Arg170 (A) Wat103 O Ala10 O 2.77
  1. The asterisk shows the residue of the Stx2a B-subunit.