. 2018 Mar 7;18:264. doi: 10.1186/s12885-018-4050-1

Table 6.

Intermolecular interaction between the protein and the ligands

Name of the compound	Hydrogen bonds < 3 Å			van der Waals interactions	π-π
Name of the compound	Residue atom	Ligand atom	Bond length	van der Waals interactions	π-π
Co-crystal	Leu83: O Leu83:HN Asp86:HN Lys89:HZ2 Lys89:HZ3	H42 N20 O31 O32 O32	2.2 2.0 2.5 2.4 2.4	Gly11, Glu12, Lys20, Lys33, Val64, Glu81, Gln85, Lys88, Gln131, Asn132, Leu148,	Val18, Ala31, Phe80, Phe82, Leu134, Ala144
Reference	Glu12: O Gly16:HN Lys89:HZ2 Lys89:HZ2 Lys89:HZ3	H43 O27 O34 O31 O29	3.0 2.2 2.3 1.9 2.5	Gly11, Tyr15, Val18, Gln85, Asp86, Asp127, Lys129, Gln131, Asn132, Leu134, Leu298,	Phe82
Hit	Leu83:HN Lys89:HZ2 Gln131: O	O25 O24 H36	2.1 2.4 2.2	Gly11, Glu12, Ala31, Lys33, Val64, Phe82, His84, Gln85, Asp86, Lys129, Asn132, Asp145, Ala144, Val164	Ile10, Val18, Leu134, Leu298