7X86

The crystal structure of PloI4-F124L in complex with endo-4+2 adduct

Summary for 7X86

Entry DOI	10.2210/pdb7x86/pdb
Descriptor	PloI4, (4S,4aS,6aR,8R,9R,10aS,13S,14aS,18aR,18bR,E)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,10a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)benzo[b]naphtho[2,1-h][1]azacyclododecine-16,18(1H,15H)-dione (3 entities in total)
Functional Keywords	ploi4, mutant, 4+2 cyclase, endo-4+2 adduct, ligase
Biological source	Micromonospora sp.
Total number of polymer chains	4
Total formula weight	63847.24
Authors	Li, M.,Pan, L.F. (deposition date: 2022-03-11, release date: 2023-02-08, Last modification date: 2023-11-29)
Primary citation	Wang, H.,Zou, Y.,Li, M.,Tang, Z.,Wang, J.,Tian, Z.,Strassner, N.,Yang, Q.,Zheng, Q.,Guo, Y.,Liu, W.,Pan, L.,Houk, K.N. A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions. Nat.Chem., 15:177-184, 2023 Cited by PubMed: 36690833 DOI: 10.1038/s41557-022-01104-x PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.303 Å)

Structure validation