Elucidation of Novel Structural Scaffold in Rohu TLR2 and Its Binding Site Analysis with Peptidoglycan, Lipoteichoic Acid and Zymosan Ligands, and Downstream MyD88 Adaptor Protein

Table 6

List of hydrogen bond forming and hydrophobic interacting residues between TLR2-TIR and MyD88-TIR domains.

Hydrogen bonds			Hydrophobic interactions
Donor	Acceptor	Length (Å)	Donor	Acceptor
Trp689-NE1	Leu84-O	1.97	Ala73	Gln654
Ser715-O	Ser50-N	2.34	Gln77	His655
Ser715-O	Ile48-O	2.84	Tyr8	Asp656
Ser715-OG	Asp36-OD2	2.78	Ser71	His680
Asp723-OD2	Lys55-NZ	2.70	Asp72	Lys681
Thr714-N	Asp36-OD2	2.62	Cys9	Arg682
Thr714-O	Asp36-O	2.72	Phe76	Phe684
Ser83-OG	Gly687-N	2.94	Lys79	Pro686
Gln654-NE2	Asp38-OD2	2.72	Leu82	Gly687
Ser11-SG	Asp656-OD1	3.15	Ser83	Trp689
Cys9-NZ	Asp656-OD1	2.70	Phe80	Ile690
Asp72-N	Asp656-OD2	2.56	Leu84	Glu710
Cys9-NZ	His655-O	2.61	Cys85	His711
Cys9-NZ	His655-ND1	2.78	Pro86	Val713
Pro686-O	Ser50-OG	2.14	Asp36	Thr714
Arg688-NH2	Glu51-OE2	2.75	Ala73	Gln654
Asp692-OD1	Lys10-NZ	2.20	Gln77	His655
Lys681-NZ	Asp72-OD2	2.73	Tyr8	Asp656
His655-NE2	Asp75-OD2	1.91	Ser71	His680