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9ARS

Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-245

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B3C-like proteinase nsp5polymer30633795.62UniProt (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,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamidenon-polymer655.72Chemie (T2L)
3waterwater18.029Chemie (HOH)
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTD1)
PDBExternal DatabaseDetails
Val 166Glu 3429engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight67591.1
Non-Polymers*Number of molecules2
Total formula weight1311.4
All*Total formula weight68902.5
*Water molecules are not included.

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PDB entries from 2024-06-12

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