7X2X
Crystal Structure of hetero-Diels-Alderase PycR1 in complex with 10-hydroxy-8E-humulene
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | PycR1 | polymer | 388 | 42954.1 | 1 | UniProt (by SIFTS) (A0A9Y2YAC0) | Leptobacillium sp. | |
| 2 | B (B) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[beta-D-mannopyranose-(6-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1397.2 | 1 | ||||
| 3 | C (C) | alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | ||||
| 4 | D (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | E (A) | (1R,2E,6E,9E)-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol | non-polymer | 220.3 | 1 | Chemie (80N) | |||
| 6 | F (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 7 | G, H, I, J, K... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 9 | Chemie (EDO) | |||
| 8 | P, Q, R, S, T (A) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 9 | U (A) | water | water | 18.0 | 457 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42954.1 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 2308.1 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 1088.4 | |
| All* | Total formula weight | 46350.6 |
