3VAD
Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | polymer | 418 | 47408.3 | 1 | UniProt (Q00972) Pfam (PF10436) Pfam (PF02518) | Rattus norvegicus (rat) | Branched-chain alpha-ketoacid dehydrogenase kinase, BCKD-kinase, BCKDHKIN |
| 2 | B (A) | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 1 | Chemie (ADP) | |||
| 3 | C (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | D (A) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 5 | E, F (A) | 3,6-dichloro-1-benzothiophene-2-carboxylic acid | non-polymer | 247.1 | 2 | Chemie (0F1) | |||
| 6 | G (A) | water | water | 18.0 | 2 | Chemie (HOH) |
Sequence modifications
A: -29 - 382 (UniProt: Q00972)
| PDB | External Database | Details |
|---|---|---|
| Phe 170 | Ile 200 | engineered mutation |
| His 383 | - | expression tag |
| His 384 | - | expression tag |
| His 385 | - | expression tag |
| His 386 | - | expression tag |
| His 387 | - | expression tag |
| His 388 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 47408.3 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 984.8 | |
| All* | Total formula weight | 48393.1 |
