5HI5
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 (A, B) | Interleukin-17A | polymer | 132 | 15146.1 | 2 | UniProt (Q16552) Pfam (PF06083) | Homo sapiens (Human) | IL-17A,Cytotoxic T-lymphocyte-associated antigen 8,CTLA-8 |
| 2 | C, E (C, H) | CAT-2000 FAB heavy chain | polymer | 237 | 25053.9 | 2 | Homo sapiens | ||
| 3 | D, G (D, L) | CAT-2000 light chain | polymer | 214 | 23006.3 | 2 | Homo sapiens | ||
| 4 | F (I) | synthetic IL-17A inhibitor | polymer | 16 | 1849.1 | 1 | synthetic construct | ||
| 5 | H (B) | (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide | non-polymer | 613.1 | 1 | Chemie (63Q) | |||
| 6 | I, J, K, L, M... (A, B, C, D, H...) | water | water | 18.0 | 319 | 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 | 613.1 | |
| All* | Total formula weight | 128875.0 |
