4MHW
Crystal structure of ThiT with small molecule BAT-25
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) | Thiamine transporter ThiT | polymer | 192 | 21231.5 | 2 | UniProt (D8KFM5) | Lactococcus lactis subsp. cremoris | Thiamine ECF transporter S component ThiT |
| 2 | C, S (A, B) | 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol | non-polymer | 263.4 | 2 | Chemie (0YN) | |||
| 3 | D, T, U (A, B) | nonyl beta-D-glucopyranoside | non-polymer | 306.4 | 3 | Chemie (BNG) | |||
| 4 | E, F (A) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 2 | Chemie (P6G) | |||
| 5 | G, V (A, B) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 2 | Chemie (1PE) | |||
| 6 | AA, BA, CA, DA, EA... (B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 16 | Chemie (PEG) | |||
| 7 | N (A) | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL | non-polymer | 354.4 | 1 | Chemie (PE4) | |||
| 8 | GA, HA, IA, JA, O (B, A) | 2-(2-METHOXYETHOXY)ETHANOL | non-polymer | 120.1 | 5 | Chemie (PG0) | |||
| 9 | KA, LA, P, Q, R (B, A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 5 | Chemie (PG4) | |||
| 10 | MA, NA (A, B) | water | water | 18.0 | 51 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 182 (UniProt: D8KFM5)
| PDB | External Database | Details |
|---|---|---|
| Met -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 42463.0 | |
| Non-Polymers* | Number of molecules | 36 |
| Total formula weight | 6111.3 | |
| All* | Total formula weight | 48574.3 |
