5HI3
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Interleukin-17A | polymer | 132 | 15146.1 | 2 | UniProt (Q16552) Pfam (PF06083) In PDB | Homo sapiens (Human) | IL-17A,Cytotoxic T-lymphocyte-associated antigen 8,CTLA-8 |
| 2 | C, H | CAT-2000 FAB heavy chain | polymer | 237 | 25053.9 | 2 | Homo sapiens | ||
| 3 | D, L | CAT-2000 FAB light chain | polymer | 214 | 23006.3 | 2 | Homo sapiens | ||
| 4 | I | synthetic IL-17A peptide inhibitor | polymer | 16 | 1849.1 | 1 | synthetic construct | ||
| 5 | B | N-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-Nalpha-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-L-phenylalaninamide | non-polymer | 604.7 | 1 | Chemie (63O) | |||
| 6 | water | water | 18.0 | 141 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 7 |
| Total formula weight | 128261.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 604.7 | |
| All* | Total formula weight | 128866.6 |
