4EC3
Structure of berberine bridge enzyme, H174A 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 | Reticuline oxidase | polymer | 519 | 57808.3 | 1 | UniProt (P30986) Pfam (PF01565) Pfam (PF08031) In PDB | Eschscholzia californica (California poppy) | Berberine bridge-forming enzyme, BBE, Tetrahydroprotoberberine synthase |
| 2 | B | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1073.0 | 1 | In PDB GlyTouCan (G01760ZU) | |||
| 3 | A | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 1 | Chemie (FAD) | |||
| 4 | A | (S)-reticuline | non-polymer | 329.4 | 1 | Chemie (REN) | |||
| 5 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 6 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | water | water | 18.0 | 115 | Chemie (HOH) |
Sequence modifications
A: 24 - 538 (UniProt: P30986)
| PDB | External Database | Details |
|---|---|---|
| Glu 20 | - | expression tag |
| Ala 21 | - | expression tag |
| Glu 22 | - | expression tag |
| Ala 23 | - | expression tag |
| Ala 174 | His 174 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 57808.3 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 1073.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1371.6 | |
| All* | Total formula weight | 60252.8 |
