Table 1.
Specifics of protein and ligand components for the set of 15 small complexes studied here
| PDB ID | Protein name | Number of atoms in protein |
Ligand name | Number of atoms in ligand |
|---|---|---|---|---|
| 1b11 | FELINE IMMUNODEFICIENCY VIRUS PROTEASE |
1824 | TL- 3–093 | 66 |
| 1bkf | FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V |
1659 | FK506 | 128 |
| 1f40 | FKBP12 | 1662 | GPI-1046 | 54 |
| 1fb7 | HIV-1 PROTEASE MUTANT | 1566 | SAQUINAVIR | 99 |
| 1fkb | HUMAN IMMUNOPHILIN FKBP-12 | 1662 | RAPAMYCIN | 144 |
| 1fkf | IMMUNOPHILIN FKBP | 1662 | FK506 | 126 |
| 1fkg | FKBP | 1662 | SB3 | 68 |
| 1fkh | FKBP | 1662 | SBX | 74 |
| 1fkj | FKBP12 | 1662 | FK506 | 128 |
| 1fkl | FKBP12 | 1661 | RAPAYMYCIN | 146 |
| 1pbk | FKBP25 | 1851 | RAP | 144 |
| 1zp8 | HIV PROTEASE | 1566 | INHIBITOR AB-2 | 88 |
| 2fke | FK-506-BINDING PROTEIN | 1662 | 8-DEETHYL-8-[BUT-3- ENYL]-ASCOMYCIN |
126 |
| 3kfp | HIV PROTEASE | 1569 | INHIBITOR TL-3 | 66 |
| 2hah | FIV/HIV chimeric protease | 1800 | broad-based inhibitor, TL 3 | 66 |