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 | Peptidyl-prolyl cis-trans isomerase A | polymer | 164 | 17907.4 | 4 | UniProt (P62937) Pfam (PF00160) In PDB | Homo sapiens (Human) | PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A |
2 | 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 | 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 |