21TH

Enterovirus 71 Polymerase (S417G mutant) Elongation Complex with Remdesivir Nucleotides at Product Strand Positions -2 and -4 (C1S1 form)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Enterovirus 71 polymerase	polymer	468	53378.4	1	UniProt (E5RPG3)	Enterovirus A71
2	B (B)	RNA (34-MER)	polymer	34	10954.6	1		synthetic construct
3	C (C)	RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*G)-D(*R)-R(P*G)-D(*R)-R(P*G)-3')	polymer	15	4920.0	1		synthetic construct
4	D, F, G, H (A)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	E (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN) PubChem (32051)
6	I, J, K (A, B, C)	water	water		18.0	190	Chemie (HOH)

Sequence modifications

A: 1 - 462 (UniProt: E5RPG3)

PDB	External Database	Details
Met 291	Cys 2022	engineered mutation
Gly 417	Ser 2148	engineered mutation
His 463	-	expression tag
His 464	-	expression tag
His 465	-	expression tag
His 466	-	expression tag
His 467	-	expression tag
His 468	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	69253.0
Non-Polymers*	Number of molecules	5
	Total formula weight	449.7
All*	Total formula weight	69702.7

*Water molecules are not included.