9D02

Co-crystal structure of circularly permuted human taspase-1 bound to ligand SMDC1014883 (2R)-4-(ethenesulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-[(prop-2-yn-1-yloxy)methyl]piperazine

Summary for 9D02

Entry DOI	10.2210/pdb9d02/pdb
Related	6VKU
Descriptor	Threonine aspartase subunit beta,Threonine aspartase subunit alpha, CHLORIDE ION, SODIUM ION, ... (5 entities in total)
Functional Keywords	mll, taspase-1, circular permutation, hydrolase
Biological source	Homo sapiens (human) More
Total number of polymer chains	2
Total formula weight	71677.65
Authors	Delker, S.L.,Edwards, T.E.,Abendroth, J. (deposition date: 2024-08-06, release date: 2025-08-13)
Primary citation	Delker, S.L.,Edwards, T.E.,Abendroth, J. CO-CRYSTAL STRUCTURE OF CIRCULARLY PERMUTED HUMAN TASPASE-1 BOUND TO LIGAND SMDC994967 1-(ETHENESULFONYL)-4-{[4- (TRIFLUOROMETHOXY)PHENYL]METHYL}PIPERAZINE TO BE PUBLISHED,
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation