2BFB
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT | polymer | 400 | 45431.0 | 1 | UniProt (P12694) Pfam (PF00676) | HOMO SAPIENS (HUMAN) | BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE E1 COMPONENT ALPHA CHAIN, BCKDH E1-ALPHA, BCKDE1A |
| 2 | B (B) | 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT | polymer | 342 | 37902.3 | 1 | UniProt (P21953) Pfam (PF02779) Pfam (PF02780) | HOMO SAPIENS (HUMAN) | BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE E1 COMPONENT BETA CHAIN, BCKDH E1-BETA |
| 3 | C, H (A, B) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 4 | D (A) | MANGANESE (II) ION | non-polymer | 54.9 | 1 | Chemie (MN) | |||
| 5 | E, G (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | F (A) | THIAMINE DIPHOSPHATE | non-polymer | 425.3 | 1 | Chemie (TPP) | |||
| 7 | I (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | J (B) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 1 | Chemie (MRD) | |||
| 9 | K, L (A, B) | water | water | 18.0 | 644 | Chemie (HOH) |
Sequence modifications
A: 1 - 400 (UniProt: P12694)
| PDB | External Database | Details |
|---|---|---|
| Ala 112 | Gln 157 | engineered mutation |
| Ala 291 | His 336 | conflict |
| Phe 300 | Tyr 345 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 83333.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 839.6 | |
| All* | Total formula weight | 84172.9 |
