4N4D
Structure of ThiT with AV-38 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 (A, B) | thiamine binding protein ThiT | polymer | 182 | 19924.0 | 2 | UniProt (D8KFM5) | Lactococcus lactis | |
| 2 | C, U (A, B) | {3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol | non-polymer | 229.3 | 2 | Chemie (XX8) | |||
| 3 | D, E, F, V, W (A, B) | nonyl beta-D-glucopyranoside | non-polymer | 306.4 | 5 | Chemie (BNG) | |||
| 4 | G, H, X (A, B) | 2-(2-METHOXYETHOXY)ETHANOL | non-polymer | 120.1 | 3 | Chemie (PG0) | |||
| 5 | I, J, K, L, M... (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 8 | Chemie (PEG) | |||
| 6 | AA, O (B, A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
| 7 | CA, DA, P, Q, R... (B, A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 6 | Chemie (PGE) | |||
| 8 | EA, T (B, A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 2 | Chemie (1PE) | |||
| 9 | BA (B) | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | non-polymer | 326.4 | 1 | Chemie (P33) | |||
| 10 | FA (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 11 | GA, HA (A, B) | water | water | 18.0 | 46 | Chemie (HOH) |
Sequence modifications
A, B: 7 - 182 (UniProt: D8KFM5)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | expression tag |
| Ser 2 | - | expression tag |
| Asn 3 | - | expression tag |
| Ser 4 | - | expression tag |
| Lys 5 | - | expression tag |
| Phe 6 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 39848.1 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 5327.8 | |
| All* | Total formula weight | 45175.9 |
