TABLE 3.
Ligand interactions of Cypl
| Ligand | Bond or contacta | Bording residue(s) (distance [Å]) |
|---|---|---|
| TPP | O1B HB | Tyr215 (2.6), Ser257 (2.9 and 2.7) |
| O2B HB | Lys129 (3.0), Ser256 (2.9) | |
| O3B HB | Ser255 (2.5), Lys258 (3.0), Lys129 (3.5) | |
| O1A HB | Tyr215 (3.5) | |
| O2A HB | Lys258 (2.7), HOH 1062 (2.85) | |
| O3A HB | HOH 1073 (3.5) | |
| O4A HB | HOH 1073 (2.9), HOH 1048 (2.8) | |
| S1 HB | Asp344 (3.5) | |
| N3 HB | Tyr343 (3.3) | |
| N4′ HB | HOH 1126 (2.9) | |
| N3′ HB | HOH 1270 (3.1) | |
| N1′ HB | HOH 1027 (2.7) | |
| HC | Asn200, Val201, Glu308, Ser257, Ser255, Lys258, Trp314, Leu379, Asp344, Tyr215, HOH 1062 | |
| Ca2+ site A | HB | Asp121 (2.3 and 2.7), Pro118 (2.3), Asp43 (2.4), Ser45 (2.4), HOH 1011 (2.5), HOH 1075 (2.6) |
| Ca2+ site B | HB | Thr326 (2.4), Lys327 (2.5), Glu330 (2.3), HOH 1153 (2.3), HOH 1154 (2.3) |
a
HB, hydrogen bond; HC, hydrophobic contact.