6KK5

Crystal structure of Zika NS2B-NS3 protease with compound 15

Summary for 6KK5

Entry DOI	10.2210/pdb6kk5/pdb
Descriptor	Serine protease subunit NS2B, NS3 protease, 1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, ... (4 entities in total)
Functional Keywords	viral protease, protease inhibitor complex, viral protein
Biological source	Zika virus (ZIKV) More
Total number of polymer chains	2
Total formula weight	25547.79
Authors	Quek, J.P. (deposition date: 2019-07-23, release date: 2020-06-17, Last modification date: 2023-11-22)
Primary citation	Braun, N.J.,Quek, J.P.,Huber, S.,Kouretova, J.,Rogge, D.,Lang-Henkel, H.,Cheong, E.Z.K.,Chew, B.L.A.,Heine, A.,Luo, D.,Steinmetzer, T. Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15:1439-1452, 2020 Cited by PubMed: 32501637 DOI: 10.1002/cmdc.202000237 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.03 Å)

Structure validation