4ZX8
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
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...) | Probable M17 family aminopeptidase | polymer | 522 | 57982.2 | 12 | UniProt (A0A024V0B1) Pfam (PF00883) | Plasmodium falciparum FcB1/Columbia | |
| 2 | BB, EA, GC, LA, M... (F, C, J, D, A...) | tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate | non-polymer | 345.2 | 12 | Chemie (4TY) | |||
| 3 | AA, AC, BC, CB, DB... (B, I, F, C, J...) | ZINC ION | non-polymer | 65.4 | 24 | Chemie (ZN) | |||
| 4 | AD, BA, CC, EB, HA... (L, B, I, F, C...) | CARBONATE ION | non-polymer | 60.0 | 12 | Chemie (CO3) | |||
| 5 | DC, FB, IA, Q, R... (I, F, C, A, E) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 6 | S (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 7 | BD, CA, EC, FC, GB... (L, B, I, F, C...) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 26 | Chemie (1PE) | |||
| 8 | AB, DA, KB, LB, MC... (E, B, F, J, D...) | SULFATE ION | non-polymer | 96.1 | 13 | Chemie (SO4) | |||
| 9 | CD, DD, ED, FD, GD... (A, B, C, D, E...) | water | water | 18.0 | 1819 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L: 82 - 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 | 695786.8 | |
| Non-Polymers* | Number of molecules | 94 |
| Total formula weight | 14506.9 | |
| All* | Total formula weight | 710293.7 |
