5TA4
Discovery of a Potent Cyclophilin Inhibitor (Compound 8) based on Structural Simplification of Sanglifehrin A
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Peptidyl-prolyl cis-trans isomerase A | polymer | 164 | 17905.3 | 1 | UniProt (P62937) Pfam (PF00160) | Homo sapiens (Human) | PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A |
| 2 | B (A) | 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone | non-polymer | 556.7 | 1 | BIRD (PRD_002240) Chemie (838) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | water | water | 18.0 | 168 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 17905.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 652.8 | |
| All* | Total formula weight | 18558.1 |
