4H3D
1.95 Angstrom Crystal Structure of of Type I 3-Dehydroquinate Dehydratase (aroD) from Clostridium difficile with Covalent Modified Comenic 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, C, D (A, B, C, D) | 3-dehydroquinate dehydratase | polymer | 258 | 29188.1 | 4 | UniProt (Q186A6) Pfam (PF01487) | Clostridium difficile | 3-dehydroquinase, Type I DHQase |
| 2 | E, K (A, C) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 3 | F, H (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 4 | G, I, L, M (A, B, C, D) | 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | non-polymer | 170.1 | 4 | Chemie (SHL) | |||
| 5 | J, N, O (B, D) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 6 | P, Q, R, S (A, B, C, D) | water | water | 18.0 | 817 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 255 (UniProt: Q186A6)
| PDB | External Database | Details |
|---|---|---|
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 116752.2 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1370.2 | |
| All* | Total formula weight | 118122.4 |
