4UBT
Structure of the C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with a steroid and CoA.
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 (A, B, C, D) | Acetyl-CoA acetyltransferase FadA5 | polymer | 399 | 42330.7 | 4 | UniProt (I6XHI4) Pfam (PF00108) Pfam (PF02803) | Mycobacterium tuberculosis | Probable acetyl-CoA acetyltransferase FadA5 (Acetoacetyl-CoA thiolase) |
| 2 | E, L, T, Y (A, B, C, D) | COENZYME A | non-polymer | 767.5 | 4 | Chemie (COA) | |||
| 3 | F, M, S (A, B, C) | (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) | non-polymer | 344.5 | 3 | Chemie (3G6) | |||
| 4 | G, H, I, U, Z (A, C, D) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 5 | AA, BA, J, K, N... (D, A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 10 | Chemie (CL) | |||
| 6 | V (C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 7 | X (C) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 8 | CA, DA, EA, FA (A, B, C, D) | water | water | 18.0 | 1161 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 391 (UniProt: I6XHI4)
| PDB | External Database | Details |
|---|---|---|
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Ser 93 | Cys 93 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 169322.6 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 5047.7 | |
| All* | Total formula weight | 174370.3 |
