9PUY

SARS-CoV-2 Papain-like Protease (PLpro) in complex with Fragment 27

This is a non-PDB format compatible entry.

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 (A, B, C, D)	Papain-like protease nsp3	polymer	326	37096.0	4	UniProt (P0DTD1) Pfam (PF08715)	Severe acute respiratory syndrome coronavirus 2	Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO
2	E, I, O, R (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F, J, P, S (A, B, C, D)	7,8-dimethyl-1'-[(pyridin-2-yl)methyl]spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one	non-polymer		336.4	4	Chemie (A1CLD)
4	G, K, L, T, U (A, B, D)	PHOSPHATE ION	non-polymer		95.0	5	Chemie (PO4)
5	H, M, N, Q, V (A, B, C, D)	POTASSIUM ION	non-polymer		39.1	5	Chemie (K)
6	W, X, Y, Z (A, B, C, D)	water	water		18.0	1676	Chemie (HOH)

Sequence modifications

A, B, C, D: 0 - 316 (UniProt: P0DTD1)

PDB	External Database	Details
Met -1	-	initiating methionine
Ser 111	Cys 1674	engineered mutation
Ser 270	Cys 1833	conflict
Leu 317	-	expression tag
Glu 318	-	expression tag
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	148384.1
Non-Polymers*	Number of molecules	18
	Total formula weight	2277.7
All*	Total formula weight	150661.8

*Water molecules are not included.