8TRY
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Polyketide synthase Pks13 | polymer | 286 | 31777.7 | 2 | UniProt (I6X8D2) Pfam (PF00975) In PDB | Mycobacterium tuberculosis | Termination polyketide synthase |
| 2 | A, B | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide | non-polymer | 486.6 | 4 | Chemie (QU0) | |||
| 3 | B | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | water | water | 18.0 | 82 | 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 | 6 |
| Total formula weight | 2138.6 | |
| All* | Total formula weight | 65694.1 |
