Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231
Zhou, X.L., Lin, C., Zou, X.F., Zhang, J., Li, J.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
3C-like proteinase nsp5 | 299 | Severe acute respiratory syndrome coronavirus 2 | Mutation(s): 1 EC: 3.4.22.69 | ||
UniProt | |||||
Find proteins for P0DTD1 (Severe acute respiratory syndrome coronavirus 2) Explore P0DTD1 Go to UniProtKB: P0DTD1 | |||||
Entity Groups | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P0DTD1 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 1 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
V2M (Subject of Investigation/LOI) Query on V2M | C [auth A], D [auth B] | N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide C24 H34 N4 O6 FDQSUXUTXIGUIA-PRIDNEQBSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 54.872 | α = 90 |
b = 99.926 | β = 106.944 |
c = 58.712 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
XDS | data reduction |
XDS | data scaling |
PHENIX | phasing |
Funding Organization | Location | Grant Number |
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Not funded | -- |