3IMG
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution in a ternary complex with fragment compounds 5-methoxyindole and 1-benzofuran-2-carboxylic 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 | 301 | 31571.2 | 2 | UniProt (P0A5R0) Pfam (PF02569) UniProt (by SIFTS) (P9WIL5) | Mycobacterium tuberculosis | PS, Pantoate-beta-alanine ligase, Pantoate-activating enzyme |
| 2 | C, J (A, B) | 1-benzofuran-2-carboxylic acid | non-polymer | 162.1 | 2 | Chemie (BZ2) | |||
| 3 | D, K (A, B) | 5-methoxy-1H-indole | non-polymer | 147.2 | 2 | Chemie (BZ3) | |||
| 4 | E, F, L (A, B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | G (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | H, I (A) | ETHANOL | non-polymer | 46.1 | 2 | Chemie (EOH) | |||
| 7 | M, N (A, B) | water | water | 18.0 | 382 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 300 (UniProt: P0A5R0)
| PDB | External Database | Details |
|---|---|---|
| Ala 0 | - | expression tag |
| 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 | 10 |
| Total formula weight | 1091.1 | |
| All* | Total formula weight | 64233.4 |
