Table 3. Protein-ligand interactions of two cofactors with AtNTR_CC and AtNTR_AC.
Protein | Ligand | Protein-ligand interactions | ||
Hydrogen bonds | Hydrophobic contacts | Pi interaction | ||
AtNTR_CC (subunit B) | OxFAD | S24, A27, G55, Q57, A126, A306, Q305 | I22, F45, P54, T60, V64, E97, A129, T130, T173, H259, L265, G296 | G23 (sigma), NADP+ (pi) |
NADP+ | T173, R304, Q305 | V64, V192, L197, G258 | R37 (subunit A; cation), R194 (cation), OxFAD (pi) | |
AtNTR_AC (subunit A) | OxFAD | Q47, S116, T117 | V11, G12, G36, L48, T52, V54, F60, I69, F73, V89, V120, H254 | F57 (pi) |
NADP+ | N56, S167, H254, A301 | - | R188 (cation) |