6KPQ

Crystal structure of Zika NS2B-NS3 protease with compound 8

Summary for 6KPQ

• Entry DOI: 10.2210/pdb6kpq/pdb
• Descriptor: Serine protease subunit NS2B, NS3 protease, 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-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: 25561.81

Authors

Quek, J.P. (deposition date: 2019-08-15, 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; PubMed: 32501637; DOI: 10.1002/cmdc.202000237

Experimental method

X-RAY DIFFRACTION (2.62 Å)