Table 2.
Amino acids interaction with the natural ligands and RES. Amino acids that interact with RES and the known ligand are shown in bold
| Protein | H-bond interactions |
Hydrofobic contact | |
|---|---|---|---|
| CYP1B1 | RES | Asn265, Asn228, Gln332 | Phe231, Leu264, Phe268, Gly329, Ala330, Asp333, Thr334, Ile399, Leu509 and the HEM group |
| AHR | TCDD | – | Phe16, Thr18, His20, Cys29, Leu37, Tyr39, Leu44, Phe53, His66, Leu82, Val110, Gln112 |
| RES | Tyr39, Gly50, Gln112 | Phe16, Thr18, His20, Cys29, Gly33, Arg34, Leu37, Leu44, Leu82, Val110 | |
| DHODH | DHO | Ala96, Ser120, Asn212, Lys255, Thr283, Asn284, Gly334, Gly335, Tyr356, Thr357 | Ala95, Gly97, Gly119, Asn145, Thr285, Ser305, Leu309, Val333, Gln354, Leu355 |
| RES | Ala96, Thr283, Val336 | Lys255, Asn284, Gly306, Val333, Gly335, Ser337, Leu355, Tyr356, Thr357, Ala358 | |
| GMPR2 | GMP | Ala131, Gly179, Asp219 | Asp129, Asn158, Gly220, Ile180, Gly181, Pro182, Cys186, Thr188 |
| RES | Cys222, Met240, Met269 | Met55, Gly183, Ser184, Val185, Cys186, Gly220, Gly221, Leu241, Gly242, Gly243 Gly268 | |
| RdRp | ATP | Arg731, Tyr768, Thr795, Thr796, Trp797, Ser798 | Leu513, Leu736, Arg739, Met763, Leu767, His800, Gly801, Trp805 |
| RES | Leu736, Ser798, His800 | Leu513, Arg739, Ala740, Tyr760, Met763, Trp764, Leu767, Tyr768, Thr795, Thr796, Gly801 | |