8HVY

Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07304814

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	3C-like proteinase nsp5	polymer	299	33176.8	2	UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) In PDB	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	A, B	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	non-polymer		552.5	2	Chemie (80I)
3		water	water		18.0	58	Chemie (HOH)

Sequence modifications

A, B: 3 - 301 (UniProt: P0DTC1)

PDB	External Database	Details
Arg 90	Lys 3353	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66353.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1105.0
All*	Total formula weight	67458.7

*Water molecules are not included.