4FEW
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2
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...) | Aminoglycoside 3'-phosphotransferase AphA1-IAB | polymer | 272 | 31350.4 | 6 | UniProt (B0VD92) | Acinetobacter baumannii | |
| 2 | CA, G, L, P, S... (F, A, B, C, D...) | KANAMYCIN A | non-polymer | 484.5 | 6 | Chemie (KAN) | |||
| 3 | DA, H, M, Q, T... (F, A, B, C, D...) | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | non-polymer | 302.8 | 6 | Chemie (PP2) | |||
| 4 | AA, EA, FA, I, N... (E, F, A, B, D) | SODIUM ION | non-polymer | 23.0 | 7 | Chemie (NA) | |||
| 5 | J (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | BA, GA, K, O, W... (E, F, A, B, D) | ACETATE ION | non-polymer | 59.0 | 6 | Chemie (ACT) | |||
| 7 | HA, R (F, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 8 | IA, JA, KA, LA, MA... (A, B, C, D, E...) | water | water | 18.0 | 1170 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 1 - 271 (UniProt: B0VD92)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 188102.4 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 5486.6 | |
| All* | Total formula weight | 193589.0 |
