3ISJ
Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide
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) | Pantothenate synthetase | polymer | 300 | 31500.1 | 2 | UniProt (P0A5R0) Pfam (PF02569) UniProt (by SIFTS) (P9WIL5) | Mycobacterium tuberculosis | PS, Pantoate--beta-alanine ligase, Pantoate-activating enzyme |
| 2 | C, D, E, F, K (A, B) | ETHANOL | non-polymer | 46.1 | 5 | Chemie (EOH) | |||
| 3 | G, H, I, M, N (A, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 4 | J, O (A, B) | 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide | non-polymer | 268.3 | 2 | Chemie (A8D) | |||
| 5 | L (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | P, Q (A, B) | water | water | 18.0 | 400 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 289 (UniProt: P0A5R0)
| PDB | External Database | Details |
|---|---|---|
| Ala 2 | Thr 2 | engineered mutation |
| Gly 77 | Glu 77 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 63000.2 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1323.5 | |
| All* | Total formula weight | 64323.7 |
