3FWA
Structure of berberine bridge enzyme, C166A variant in complex with (S)-reticuline
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Reticuline oxidase | polymer | 497 | 55593.9 | 1 | UniProt (P30986) Pfam (PF01565) Pfam (PF08031) | Eschscholzia californica (California poppy) | Berberine bridge-forming enzyme, BBE, Tetrahydroprotoberberine synthase |
| 2 | B (B) | alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G62182OO) | |||
| 3 | C (A) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 1 | Chemie (FAD) | |||
| 4 | D (A) | (S)-reticuline | non-polymer | 329.4 | 1 | Chemie (REN) | |||
| 5 | E (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 6 | F (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 7 | G (A) | water | water | 18.0 | 639 | Chemie (HOH) |
Sequence modifications
A: 26 - 522 (UniProt: P30986)
| PDB | External Database | Details |
|---|---|---|
| Ala 166 | Cys 166 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 55593.9 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 586.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1360.5 | |
| All* | Total formula weight | 57540.9 |
