Table 1 Amino acid residues of tOBP and OBP::GQ20::SP-DS3 involved in the 1-AMA binding.

From: Two Engineered OBPs with opposite temperature-dependent affinities towards 1-aminoanthracene

 

tOBP

OBP::GQ20::SP-DS3

25 °C

37 °C

25 °C

37 °C

Hydrogen Bond

VAL105

ILE29

None

ASP110

van der Waals contact

PHE35/ALA83/ASN104

PHE38/VAL147/ILE149

ASN32/PRO34/PHE55/LYS58/TYR82/ARG152

LYS28/PHE35/ASN86/ASN102/ASN104/VAL105/ASP106/MET114

  1. The analysis was performed using the AutoDock Vina at 25 and 37 °C. In bold are described the new residues involved in the binding of 1-AMA to OBPs yet not identified in literature.
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