7NYA
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR BAY-069 (COMPOUND 36)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Branched-chain-amino-acid aminotransferase, cytosolic | polymer | 389 | 43290.3 | 2 | UniProt (P54687) Pfam (PF01063) In PDB | Homo sapiens (Human) | BCAT(c),Protein ECA39, BCAT1 |
| 2 | A, B | 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione | non-polymer | 446.8 | 2 | Chemie (UUZ) | |||
| 3 | A | PYRIDOXAL-5'-PHOSPHATE | non-polymer | 247.1 | 1 | Chemie (PLP) | |||
| 4 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | water | water | 18.0 | 571 | 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 | 1189.4 | |
| All* | Total formula weight | 87770.0 |
