5BU3
Crystal Structure of Diels-Alderase PyrI4 in complex with its product
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) | PyrI4 | polymer | 184 | 19499.1 | 4 | UniProt (K7QVW7) Pfam (PF18678) | Streptomyces rugosporus | |
| 2 | E, F, I, J, K... (A, C, D) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 3 | G, H, M, P (A, B, C, D) | (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione | non-polymer | 499.7 | 4 | Chemie (4W9) | |||
| 4 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 717 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 11 - 184 (UniProt: K7QVW7)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | expression tag |
| Thr 2 | - | expression tag |
| Thr 3 | - | expression tag |
| Pro 4 | - | expression tag |
| Gln 5 | - | expression tag |
| Ile 6 | - | expression tag |
| Asp 7 | - | expression tag |
| Glu 8 | - | expression tag |
| Arg 9 | - | expression tag |
| Ala 10 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 77996.5 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2735.5 | |
| All* | Total formula weight | 80732.0 |
