4ZQT
Crystal structure of PfA-M1 with virtual ligand inhibitor
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 3D7 | Pfa-M1 |
| 2 | B (A) | (2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid | non-polymer | 299.3 | 1 | Chemie (4QP) | |||
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D, E (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | F (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 6 | G (A) | water | water | 18.0 | 903 | 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 | 5 |
| Total formula weight | 573.2 | |
| All* | Total formula weight | 104204.8 |
