7NXO
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 24(5-F)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Branched-chain-amino-acid aminotransferase, cytosolic | polymer | 389 | 43290.3 | 2 | UniProt (P54687) Pfam (PF01063) | Homo sapiens (Human) | BCAT(c),Protein ECA39, BCAT1 |
| 2 | C, F (A, B) | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | non-polymer | 477.5 | 2 | Chemie (UU8) | |||
| 3 | D, G (A, B) | PYRIDOXAL-5'-PHOSPHATE | non-polymer | 247.1 | 2 | Chemie (PLP) | |||
| 4 | E (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | H (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 6 | I, J (A, B) | water | water | 18.0 | 535 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 386 (UniProt: P54687)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Pro -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Arg 379 | Ser 379 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 86580.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1565.6 | |
| All* | Total formula weight | 88146.2 |
