7NXN
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(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, E (A, B) | 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | non-polymer | 463.4 | 2 | Chemie (UU2) | |||
| 3 | D, F (A, B) | PYRIDOXAL-5'-PHOSPHATE | non-polymer | 247.1 | 2 | Chemie (PLP) | |||
| 4 | G (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 593 | 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 | 5 |
| Total formula weight | 1445.4 | |
| All* | Total formula weight | 88026.0 |
