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) PubChem (77620524) | |||
| 3 | D, E, F, V, W (A, B) | nonyl beta-D-glucopyranoside | non-polymer | 306.4 | 5 | Chemie (BNG) PubChem (113558) PubChem (155448) PubChem (57484544) PubChem (67410050) PubChem (67410054) PubChem (67410579) PubChem (67410580) PubChem (67410693) PubChem (67411265) PubChem (67411760) PubChem (67412070) PubChem (67412159) PubChem (67412975) PubChem (67413017) PubChem (71245600) PubChem (92471074) PubChem (92471075) PubChem (94290254) PubChem (94290256) PubChem (95566082) PubChem (95566083) PubChem (101527253) PubChem (9818005) PubChem (11415532) PubChem (12986435) PubChem (14656373) PubChem (129854788) PubChem (131676744) PubChem (136212546) | |||
| 4 | G, H, X (A, B) | 2-(2-METHOXYETHOXY)ETHANOL | non-polymer | 120.1 | 3 | Chemie (PG0) PubChem (8134) | |||
| 5 | I, J, K, L, M... (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 8 | Chemie (PEG) PubChem (8117) | |||
| 6 | AA, O (B, A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) PubChem (8200) | |||
| 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) PubChem (62551) | |||
| 9 | BA (B) | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | non-polymer | 326.4 | 1 | Chemie (P33) PubChem (79718) | |||
| 10 | FA (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 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 |
