7NXN
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(5-F)
Summary for 7NXN
Entry DOI | 10.2210/pdb7nxn/pdb |
Related | 7NTR 7NWA 7NWB 7NWC 7NWE 7NWM |
Descriptor | Branched-chain-amino-acid aminotransferase, cytosolic, 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, PYRIDOXAL-5'-PHOSPHATE, ... (5 entities in total) |
Functional Keywords | branched-chain-amino-acid aminotransferase, pyridoxal-phosphate-dependent aminotransferase, transferase, small molecule inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 88026.03 |
Authors | Hillig, R.C. (deposition date: 2021-03-19, release date: 2022-11-02, Last modification date: 2024-01-31) |
Primary citation | Gunther, J.,Hillig, R.C.,Zimmermann, K.,Kaulfuss, S.,Lemos, C.,Nguyen, D.,Rehwinkel, H.,Habgood, M.,Lechner, C.,Neuhaus, R.,Ganzer, U.,Drewes, M.,Chai, J.,Bouche, L. BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65:14366-14390, 2022 Cited by PubMed: 36261130DOI: 10.1021/acs.jmedchem.2c00441 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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