4MUK
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-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 | Pantothenate synthetase | polymer | 300 | 31500.1 | 2 | UniProt (P0A5R0) In PDB | Mycobacterium tuberculosis | PS, Pantoate--beta-alanine ligase, Pantoate-activating enzyme |
| 2 | A, B | [5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid | non-polymer | 470.4 | 2 | Chemie (2DV) | |||
| 3 | A, B | ETHANOL | non-polymer | 46.1 | 5 | Chemie (EOH) | |||
| 4 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 5 | water | water | 18.0 | 363 | 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 | 1481.5 | |
| All* | Total formula weight | 64481.7 |
