3QVI
Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum
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 (A, B, C, D) | Histo-aspartic protease | polymer | 451 | 51755.0 | 4 | UniProt (Q9Y006) Pfam (PF00026) | Plasmodium falciparum | HAP protein, Putative aspartic proteinase |
| 2 | E, O, P (A, C) | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | non-polymer | 704.9 | 3 | BIRD (PRD_001055) Chemie (K95) | |||
| 3 | F, G, H, M, Q... (A, B, C, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 4 | I, J, K, Z (A, D) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 4 | Chemie (PG4) | |||
| 5 | L (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 6 | N (B) | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE | non-polymer | 178.2 | 1 | Chemie (PG5) | |||
| 7 | U (D) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 8 | AA, BA, CA, DA (A, B, C, D) | water | water | 18.0 | 508 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 207019.9 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 3896.7 | |
| All* | Total formula weight | 210916.6 |
