3IME
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 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, H (A, B) | 1-benzofuran-2-carboxylic acid | non-polymer | 162.1 | 2 | Chemie (BZ2) | |||
| 3 | D, E (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | F, G (A) | ETHANOL | non-polymer | 46.1 | 2 | Chemie (EOH) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 248 | 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 | 6 |
| Total formula weight | 600.6 | |
| All* | Total formula weight | 63743.0 |
