7QG7

SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Papain-like protease nsp3	polymer	173	18676.4	2	UniProt (P0DTD1) Pfam (PF01661)	Severe acute respiratory syndrome coronavirus 2	Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO
2	C, F (A, B)	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile	non-polymer		291.3	2	Chemie (U08) PubChem (44468216) PubChem (58069410) PubChem (155903913) PubChem (76686024) PubChem (90378555) PubChem (139035242) PubChem (142467439) PubChem (149821062) PubChem (154953333) PubChem (155891770) PubChem (163464226) PubChem (165408667) PubChem (165408691) PubChem (166074951) PubChem (166766206) PubChem (167386659) PubChem (171760244) PubChem (172610237) PubChem (174038050)
3	D, E, G, H, I (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
4	J, K (A, B)	water	water		18.0	158	Chemie (HOH)

Sequence modifications

A, B: 3 - 172 (UniProt: P0DTD1)

PDB	External Database	Details
Gly 0	-	expression tag
His 1	-	expression tag
Met 2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37352.7
Non-Polymers*	Number of molecules	7
	Total formula weight	892.9
All*	Total formula weight	38245.6

*Water molecules are not included.