6KK2
Crystal structure of Zika NS2B-NS3 protease with compound 2
Summary for 6KK2
Entry DOI | 10.2210/pdb6kk2/pdb |
Descriptor | Serine protease subunit NS2B, NS3 protease, 1-[(10~{S},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]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: 2019-07-23, 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: 32501637DOI: 10.1002/cmdc.202000237 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.02 Å) |
Structure validation
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