7CJD

Crystal structure of the SARS-CoV-2 PLpro C111S mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (D, A, B, C)	Non-structural protein 3	polymer	325	36912.8	4	UniProt (P0DTD1) Pfam (PF08715)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	pp1ab,ORF1ab polyprotein,nsp3,PL2-PRO,Papain-like protease,Papain-like proteinase,PL-PRO,Replicase polyprotein 1ab
2	E, F, H, I (D, A, B, C)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	G (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	J, K, L, M (D, A, B, C)	water	water		18.0	42	Chemie (HOH)

Sequence modifications

D, A, B, C: 1 - 318 (UniProt: P0DTD1)

PDB	External Database	Details
Met 0	-	initiating methionine
Ser 111	Cys 1674	engineered mutation
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	147651.4
Non-Polymers*	Number of molecules	5
	Total formula weight	323.7
All*	Total formula weight	147975.1

*Water molecules are not included.