4X2U
X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M1 Alanyl Aminopeptidase from P. falciparum
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | M1 family aminopeptidase | polymer | 889 | 103631.6 | 1 | UniProt (O96935) Pfam (PF17900) Pfam (PF01433) Pfam (PF11940) Pfam (PF17432) | Plasmodium falciparum FcB1/Columbia | Pfa-M1 |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid | non-polymer | 338.4 | 1 | Chemie (TOD) | |||
| 4 | D, E, N, O (A) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 5 | F, G, H, I, J... (A) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 6 | P (A) | water | water | 18.0 | 1253 | Chemie (HOH) |
Sequence modifications
A: 196 - 1084 (UniProt: O96935)
| PDB | External Database | Details |
|---|---|---|
| Gln 213 | Asn 213 | engineered mutation |
| Gln 223 | Asn 223 | engineered mutation |
| Pro 378 | His 378 | engineered mutation |
| Gln 501 | Asn 501 | engineered mutation |
| Gln 745 | Asn 745 | engineered mutation |
| Gln 795 | Asn 795 | engineered mutation |
| Gln 1069 | Asn 1069 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 103631.6 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 1237.7 | |
| All* | Total formula weight | 104869.3 |
