4MUG
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(morpholinosulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
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) | Mycobacterium tuberculosis | PS, Pantoate--beta-alanine ligase, Pantoate-activating enzyme |
| 2 | C, D, I (A, B) | ETHANOL | non-polymer | 46.1 | 3 | Chemie (EOH) | |||
| 3 | E, F, L, M, N (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 4 | G, K (A, B) | {5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid | non-polymer | 397.4 | 2 | Chemie (2DK) | |||
| 5 | H, J (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | O, P (A, B) | water | water | 18.0 | 533 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 300 (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 | 12 |
| Total formula weight | 1427.5 | |
| All* | Total formula weight | 64427.7 |
