4POP
ThiT with LMG139 bound
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Thiamine transporter ThiT | polymer | 192 | 21231.5 | 2 | UniProt (A2RI47) Pfam (PF09515) In PDB | Lactococcus lactis subsp. cremoris | Thiamine ECF transporter S component ThiT |
| 2 | B, A | 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde | non-polymer | 247.3 | 2 | Chemie (2VY) | |||
| 3 | B, A | 2-(2-METHOXYETHOXY)ETHANOL | non-polymer | 120.1 | 3 | Chemie (PG0) | |||
| 4 | B, A | nonyl beta-D-glucopyranoside | non-polymer | 306.4 | 5 | Chemie (BNG) | |||
| 5 | B, A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 21 | Chemie (PEG) | |||
| 6 | B, A | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 9 | Chemie (PG4) | |||
| 7 | B, A | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 3 | Chemie (1PE) | |||
| 8 | A | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 9 | A | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) | |||
| 10 | B | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | non-polymer | 326.4 | 1 | Chemie (P33) | |||
| 11 | water | water | 18.0 | 88 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 182 (UniProt: A2RI47)
| PDB | External Database | Details |
|---|---|---|
| Met -9 | - | initiating methionine |
| 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 | 46 |
| Total formula weight | 7837.3 | |
| All* | Total formula weight | 50300.3 |
