3IUB
Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-Methoxy-N-(5-methylpyridin-2-ylsulfonyl)-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 | 301 | 31571.2 | 2 | UniProt (P0A5R0) Pfam (PF02569) UniProt (by SIFTS) (P9WIL5) | Mycobacterium tuberculosis | PS, Pantoate-beta-alanine ligase, Pantoate-activating enzyme |
| 2 | C, D (A) | ETHANOL | non-polymer | 46.1 | 2 | Chemie (EOH) | |||
| 3 | E, F, G, H, I... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 4 | J, K, S (A, B) | 5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide | non-polymer | 345.4 | 3 | Chemie (FG2) | |||
| 5 | T, U (A, B) | water | water | 18.0 | 688 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 301 (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 | 63142.4 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 1873.1 | |
| All* | Total formula weight | 65015.4 |
