6WUU

Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250

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	Non-structural protein 3	polymer	326	37128.1	4	UniProt (P0DTD1) Pfam (PF08715) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	pp1ab,ORF1ab polyprotein,nsp3,PL2-PRO,Papain-like protease,Papain-like proteinase,PL-PRO
2	G, H, I, J	VIR250	polymer	5	504.6	4	BIRD (PRD_002385)	synthetic construct
3	A, B, C, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	B, C, D	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5		water	water		18.0	18	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -1	-	initiating methionine
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	8
	Total formula weight	150531.0
Non-Polymers*	Number of molecules	8
	Total formula weight	358.9
All*	Total formula weight	150889.8

*Water molecules are not included.