8TQG
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Polyketide synthase Pks13 | polymer | 286 | 31777.7 | 1 | UniProt (I6X8D2) Pfam (PF00975) | Mycobacterium tuberculosis | Termination polyketide synthase |
| 2 | B (A) | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide | non-polymer | 625.7 | 1 | Chemie (JR0) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | water | water | 18.0 | 13 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
| Total formula weight | 31777.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 817.8 | |
| All* | Total formula weight | 32595.6 |
