3IVC
Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-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 | 301 | 31571.2 | 2 | UniProt (P0A5R0) Pfam (PF02569) UniProt (by SIFTS) (P9WIL5) | Mycobacterium tuberculosis | PS, Pantoate-beta-alanine ligase, Pantoate-activating enzyme |
| 2 | C, K (A, B) | {2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid | non-polymer | 379.4 | 2 | Chemie (FG4) | |||
| 3 | D, E, F, G, H... (A, B) | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
| 4 | I, J (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | N, Q (B) | ETHANOL | non-polymer | 46.1 | 2 | Chemie (EOH) | |||
| 6 | R, S (A, B) | water | water | 18.0 | 332 | 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 | 15 |
| Total formula weight | 1871.8 | |
| All* | Total formula weight | 65014.2 |
