5S41

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023825

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Non-structural protein 3	polymer	169	18178.8	2	UniProt (P0DTD1) Pfam (PF01661) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	Nsp3,PL2-PRO,Papain-like protease,Papain-like proteinase,PL-PRO
2	A	4-bromanyl-1~{H}-pyridin-2-one	non-polymer		174.0	1	Chemie (HGQ)
3		water	water		18.0	479	Chemie (HOH)

Sequence modifications

A, B: 3 - 169 (UniProt: P0DTD1)

PDB	External Database	Details
Ser 1	-	expression tag
Met 2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36357.5
Non-Polymers*	Number of molecules	1
	Total formula weight	174.0
All*	Total formula weight	36531.5

*Water molecules are not included.