7JRN

Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, J	Non-structural protein 3	polymer	323	36742.6	2	UniProt (P0DTC1) Pfam (PF08715) UniProt (by SIFTS) (P0DTD1) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	nsp3,PL2-PRO,Papain-like protease,Papain-like proteinase,PL-PRO
2	A, J	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	non-polymer		304.4	2	Chemie (TTT)
3	A, J	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, J	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
5		water	water		18.0	88	Chemie (HOH)

Sequence modifications

A, J: 1 - 315 (UniProt: P0DTC1)

PDB	External Database	Details
Leu 316	-	expression tag
Glu 317	-	expression tag
His 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73485.3
Non-Polymers*	Number of molecules	9
	Total formula weight	1219.9
All*	Total formula weight	74705.2

*Water molecules are not included.