9F7U

SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-Q222D-K229R-Q230R-C271S mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Replicase polyprotein 1ab	polymer	325	36926.7	1	UniProt (P0DTD1) Pfam (PF08715)	Severe acute respiratory syndrome coronavirus 2
2	B (A)	MALONIC ACID	non-polymer		104.1	1	Chemie (MLA)
3	C (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	D, E, F (A)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
5	G, H (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	I (A)	water	water		18.0	319	Chemie (HOH)

Sequence modifications

A: 2 - 319 (UniProt: P0DTD1)

PDB	External Database	Details
Met 1	-	initiating methionine
Ser 112	Cys 1674	engineered mutation
Asp 191	Lys 1753	engineered mutation
Asp 222	Gln 1784	engineered mutation
Arg 229	Lys 1791	engineered mutation
Arg 230	Gln 1792	engineered mutation
Ser 271	Cys 1833	engineered mutation
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36926.7
Non-Polymers*	Number of molecules	7
	Total formula weight	336.0
All*	Total formula weight	37262.8

*Water molecules are not included.