5HI4
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 | A | (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide | non-polymer | 683.2 | 1 | Chemie (63P) | |||
| 6 | water | water | 18.0 | 324 | 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 | 683.2 | |
| All* | Total formula weight | 128945.1 |
