9PUJ

SARS-CoV-2 Papain-like Protease (PLpro) in complex with Fragment 17

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 (A)	Papain-like protease nsp3	polymer	335	37812.7	1	UniProt (P0DTD1) Pfam (PF08715)	Severe acute respiratory syndrome coronavirus 2	Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C (A)	1'-methylspiro[naphtho[1,2-b]pyran-2,4'-piperidin]-4(3H)-one	non-polymer		281.3	1	Chemie (A1CLF)
4	D (A)	water	water		18.0	186	Chemie (HOH)

Sequence modifications

A: 2 - 314 (UniProt: P0DTD1)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Met 1	-	expression tag
Ser 111	Cys 1674	engineered mutation
Ser 270	Cys 1833	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37812.7
Non-Polymers*	Number of molecules	2
	Total formula weight	346.8
All*	Total formula weight	38159.5

*Water molecules are not included.