8TR4
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Polyketide synthase Pks13 | polymer | 286 | 31777.7 | 2 | UniProt (I6X8D2) Pfam (PF00975) | Mycobacterium tuberculosis | Termination polyketide synthase |
| 2 | C, H (A, B) | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide | non-polymer | 457.5 | 2 | Chemie (K6C) | |||
| 3 | D, E, F, G, I... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | K, L (A, B) | water | water | 18.0 | 272 | Chemie (HOH) |
Sequence modifications
A, B: 1451 - 1733 (UniProt: I6X8D2)
| PDB | External Database | Details |
|---|---|---|
| Ser 1448 | - | expression tag |
| Asn 1449 | - | expression tag |
| Ala 1450 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 63555.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1491.4 | |
| All* | Total formula weight | 65046.9 |
