6EX8
Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor
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) | Cysteine protease | polymer | 217 | 23073.4 | 2 | UniProt (Q95PM0) Pfam (PF00112) | Trypanosoma brucei rhodesiense | |
| 2 | C, N (A, B) | (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,18(22),19-hexaene-3-carboxamide | non-polymer | 521.9 | 2 | Chemie (C2K) | |||
| 3 | D, E, F, G, H... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 17 | Chemie (EDO) | |||
| 4 | V, W (A, B) | water | water | 18.0 | 361 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 217 (UniProt: Q95PM0)
| PDB | External Database | Details |
|---|---|---|
| Ala 172 | Ser 297 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46146.7 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 2099.0 | |
| All* | Total formula weight | 48245.7 |
