5BRU
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Carbonic anhydrase 2 | polymer | 260 | 29292.1 | 1 | UniProt (P00918) Pfam (PF00194) | Homo sapiens (Human) | Carbonate dehydratase II,Carbonic anhydrase C,CAC,Carbonic anhydrase II,CA-II |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium | non-polymer | 793.4 | 1 | Chemie (8TH) | |||
| 4 | D, E (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | F (A) | water | water | 18.0 | 173 | Chemie (HOH) |
Sequence modifications
A: 3 - 260 (UniProt: P00918)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Ala 2 | - | expression tag |
| Met 140 | Leu 140 | engineered mutation |
| Met 197 | Leu 197 | engineered mutation |
| Ser 205 | Cys 205 | engineered mutation |
| Leu 252 | Asn 252 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 29292.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1051.0 | |
| All* | Total formula weight | 30343.1 |
