Interactions between Yersinia pestis V-antigen (LcrV) and human Toll-like receptor 2 (TLR2) in a modelled protein complex and potential mechanistic insights

Table 2 Predicted hydrogen bonds between LcrV Domain CCL and TLR2 on the same side

LcrV residue	LcrV secondary structure	TLR2 residue	Bond length (Å)
D₂₉₄	α12	H₃₁₈ (two nitrogen atoms on side chain imidazole group)	3.0
D₂₉₄	α12	H₃₁₈ (two nitrogen atoms on side chain imidazole group)	3.1
D₂₉₄	α12	R₃₁₆ (three side chain amino groups)	2.6
			2.8
			3.1
R₂₉₇	α12	R₃₁₆ (two side chain amino groups)	2.6
R₂₉₇	α12	R₃₁₆ (two side chain amino groups)	3.0
R₂₉₇	α12	D₂₈₆	4.0
K₃₁₁	α12	R₄₈₆	3.7
R₃₁₈	α12	G₅₃₂ (peptidyl carbonyl group)	3.6
R₃₁₈	α12	G₅₃₂ (peptidyl amino group)	3.2
L₃₂₀	α12	Q₅₇₄	3.4
D₃₂₁	α12	Q₅₇₄	3.4
D₃₂₁	α12	N₅₆₁	3.5
D₃₂₁	α12	Y₅₆₂	3.9
D₃₂₁	α12	L₅₆₃	3.5
D₃₂₂ (two side chain carbonyl groups)	α12	N₅₆₁	3.1
D₃₂₂ (two side chain carbonyl groups)	α12	N₅₆₁	3.3
D₃₂₂	α12	W₅₅₈	3.8

ISSN: 1471-2172