5E6J

Structure of SARS PLpro bound to a Lys48-linked di-ubiquitin activity based probe

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Replicase polyprotein 1ab	polymer	325	36688.5	2	UniProt (P0C6X7) Pfam (PF08715)	Human SARS coronavirus (SARS-CoV)	pp1ab,ORF1ab polyprotein
2	B, E (B, E)	ubiquitin	polymer	76	8624.9	2	UniProt (P0CG48) Pfam (PF00240)	Homo sapiens
3	C, F (C, F)	Polyubiquitin-B	polymer	75	8519.8	2	UniProt (P0CG47) Pfam (PF00240)	Homo sapiens
4	G (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	H (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
6	I, J, K, L, M... (A, B, C, D, E...)	water	water		18.0	55	Chemie (HOH)

Sequence modifications

A, D: 2 - 317 (UniProt: P0C6X7)

PDB	External Database	Details
Met 1	-	initiating methionine
Leu 318	-	expression tag
Glu 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag

B, E: 1 - 75 (UniProt: P0CG48)

PDB	External Database	Details
Aye 76	-	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	107666.4
Non-Polymers*	Number of molecules	2
	Total formula weight	117.7
All*	Total formula weight	107784.1

*Water molecules are not included.