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8E5Z

Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfonyl benzene inhibitor

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B3C-like proteinasepolymer30934068.82UniProt (P0DTD1)
Pfam (PF05409)
In PDB
Severe acute respiratory syndrome coronavirus 23CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase
2A, B(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acidnon-polymer591.72Chemie (WJB)
3A, B(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acidnon-polymer591.72Chemie (UQO)
4waterwater18.0165Chemie (HOH)
Sequence modifications
A, B: 1 - 305 (UniProt: P0DTD1)
PDBExternal DatabaseDetails
Ser -3-expression tag
Asn -2-expression tag
Ile -1-expression tag
Gly 0-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight68137.6
Non-Polymers*Number of molecules4
Total formula weight2366.8
All*Total formula weight70504.4
*Water molecules are not included.

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PDB entries from 2024-06-12

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