5V3Y
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM16
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 (Termination polyketide synthase) | polymer | 286 | 31777.7 | 2 | UniProt (A0A0T9CRX1) Pfam (PF00975) UniProt (by SIFTS) (I6X8D2) In PDB | Mycobacterium tuberculosis | |
| 2 | A, B | 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide | non-polymer | 380.4 | 2 | Chemie (5V8) | |||
| 3 | B | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | water | water | 18.0 | 309 | Chemie (HOH) |
Sequence modifications
A, B: 1451 - 1733 (UniProt: A0A0T9CRX1)
| 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 | 3 |
| Total formula weight | 856.9 | |
| All* | Total formula weight | 64412.4 |
