6GWE

Crystal structure of Thrombin bound to P2 macrocycle

Summary for 6GWE

Entry DOI	10.2210/pdb6gwe/pdb
Descriptor	Thrombin heavy chain, Thrombin light chain, (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, ... (7 entities in total)
Functional Keywords	serine portease, blood coagulation, hydrolase
Biological source	Homo sapiens (Human) More
Total number of polymer chains	4
Total formula weight	69823.84
Authors	Cendron, L.,Angelini, A.,Kale, S.S.,Bergeron-Brlek, M.,Wu, Y.,Heinis, C. (deposition date: 2018-06-23, release date: 2019-09-25, Last modification date: 2024-01-17)
Primary citation	Kale, S.S.,Bergeron-Brlek, M.,Wu, Y.,Kumar, M.G.,Pham, M.V.,Bortoli, J.,Vesin, J.,Kong, X.D.,Machado, J.F.,Deyle, K.,Gonschorek, P.,Turcatti, G.,Cendron, L.,Angelini, A.,Heinis, C. Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands. Sci Adv, 5:eaaw2851-eaaw2851, 2019 Cited by PubMed: 31457083 DOI: 10.1126/sciadv.aaw2851 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation