5WGX
Crystal Structure of MalA' H253A, malbrancheamide B complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Flavin-dependent halogenase | polymer | 667 | 74630.4 | 1 | UniProt (L0E155) Pfam (PF04820) | Malbranchea aurantiaca | |
| 2 | B (A) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 1 | Chemie (FAD) | |||
| 3 | C, D, E, F (A) | CADMIUM ION | non-polymer | 112.4 | 4 | Chemie (CD) | |||
| 4 | G (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | H, I, J, K, L... (A) | SULFATE ION | non-polymer | 96.1 | 10 | Chemie (SO4) | |||
| 6 | R (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | S, T (A) | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one | non-polymer | 369.9 | 2 | Chemie (MB5) | |||
| 8 | U (A) | water | water | 18.0 | 542 | Chemie (HOH) |
Sequence modifications
A: 1 - 667 (UniProt: L0E155)
| PDB | External Database | Details |
|---|---|---|
| Ala 253 | His 253 | engineered mutation |
| Pro 276 | Leu 276 | engineered mutation |
| Pro 428 | Arg 428 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 74630.4 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 3036.5 | |
| All* | Total formula weight | 77666.9 |
