4X2T
X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M17 Leucyl 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, B, C, D, E... (A, B, C, D, E...) | M17 leucyl aminopeptidase | polymer | 519 | 57564.6 | 12 | UniProt (Q8IL11) Pfam (PF00883) | Plasmodium falciparum (isolate 3D7) | |
| 2 | AA, BA, GB, HA, HB... (C, H, D, I, A...) | ZINC ION | non-polymer | 65.4 | 24 | Chemie (ZN) | |||
| 3 | AB, AC, CA, IB, NB... (G, L, C, H, I...) | (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid | non-polymer | 338.4 | 11 | Chemie (TOD) | |||
| 4 | BB, BC, DA, JA, JB... (G, L, C, D, H...) | CARBONATE ION | non-polymer | 60.0 | 12 | Chemie (CO3) | |||
| 5 | CB, CC, DB, DC, EA... (G, L, C, D, I...) | SULFATE ION | non-polymer | 96.1 | 13 | Chemie (SO4) | |||
| 6 | EB, FA, FB, GA, KB... (G, C, H, D, A...) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 10 | Chemie (1PE) | |||
| 7 | EC, FC, GC, HC, IC... (A, B, C, D, E...) | water | water | 18.0 | 1031 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L: 85 - 603 (UniProt: Q8IL11)
| PDB | External Database | Details |
|---|---|---|
| Gln 152 | Asn 152 | engineered mutation |
| Gln 515 | Asn 515 | engineered mutation |
| Gln 546 | Asn 546 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 690775.8 | |
| Non-Polymers* | Number of molecules | 70 |
| Total formula weight | 9643.4 | |
| All* | Total formula weight | 700419.2 |
