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: 36261130 DOI: 10.1021/acs.jmedchem.2c00441 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation