5T9U
Discovery of a Potent Cyclophilin Inhibitor (Compound 3) 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, B, C, D (A, B, C, D) | Peptidyl-prolyl cis-trans isomerase A | polymer | 164 | 17907.4 | 4 | UniProt (P62937) Pfam (PF00160) | Homo sapiens (Human) | PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A |
| 2 | E, F, G, H (A, B, C, D) | 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone | non-polymer | 642.8 | 4 | BIRD (PRD_002251) Chemie (7HG) | |||
| 3 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 628 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 71629.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2571.1 | |
| All* | Total formula weight | 74200.7 |
