5CBM
Crystal structure of PfA-M17 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, B, C, D, E... | M17 family aminopeptidase | polymer | 519 | 57564.6 | 12 | UniProt (A0A024V0B1) Pfam (PF00883) In PDB | Plasmodium falciparum Vietnam Oak-Knoll (FVO) | |
| 2 | L, I, C, F, A... | CARBONATE ION | non-polymer | 60.0 | 12 | Chemie (CO3) | |||
| 3 | B, H, L, I, C... | ZINC ION | non-polymer | 65.4 | 24 | Chemie (ZN) | |||
| 4 | E, B, H, L, I... | (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid | non-polymer | 299.3 | 12 | Chemie (4ZN) | |||
| 5 | K, E, B, H, L... | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 25 | Chemie (1PE) | |||
| 6 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | K, E, B, L, I... | SULFATE ION | non-polymer | 96.1 | 28 | Chemie (SO4) | |||
| 8 | water | water | 18.0 | 3221 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L: 85 - 603 (UniProt: A0A024V0B1)
| PDB | External Database | Details |
|---|---|---|
| Gln 152 | Asn 154 | engineered mutation |
| Gln 515 | Asn 517 | engineered mutation |
| Gln 546 | Asn 548 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 690775.8 | |
| Non-Polymers* | Number of molecules | 102 |
| Total formula weight | 14620.4 | |
| All* | Total formula weight | 705396.1 |
