6LU7

The crystal structure of COVID-19 main protease in complex with an inhibitor N3

Summary for 6LU7

• Entry DOI: 10.2210/pdb6lu7/pdb
• Related PRD ID: PRD_002214
• Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE (3 entities in total)
• Functional Keywords: protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV); More
• Total number of polymer chains: 2
• Total formula weight: 34506.34

Authors

Liu, X.,Zhang, B.,Jin, Z.,Yang, H.,Rao, Z. (deposition date: 2020-01-26, release date: 2020-02-05, Last modification date: 2023-11-29)

• Primary citation: Jin, Z.,Du, X.,Xu, Y.,Deng, Y.,Liu, M.,Zhao, Y.,Zhang, B.,Li, X.,Zhang, L.,Peng, C.,Duan, Y.,Yu, J.,Wang, L.,Yang, K.,Liu, F.,Jiang, R.,Yang, X.,You, T.,Liu, X.,Yang, X.,Bai, F.,Liu, H.,Liu, X.,Guddat, L.W.,Xu, W.,Xiao, G.,Qin, C.,Shi, Z.,Jiang, H.,Rao, Z.,Yang, H.; Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.; Nature, 582:289-293, 2020; PubMed: 32272481; DOI: 10.1038/s41586-020-2223-y

Experimental method

X-RAY DIFFRACTION (2.16 Å)