21TI

Enterovirus 71 Polymerase (S417G mutant) Elongation Complex with Remdesivir Nucleotides at Product Strand Positions -3 and -5 (C2S4 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)	Human enterovirus 71 (EV71 EV-71)
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*(F86)P*G*(F86)P*GP*CP*C)-3')	polymer	17	5530.4	1		synthetic construct
4	D, E (A)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN) PubChem (27854)
5	F (A)	PYROPHOSPHATE 2-	non-polymer		176.0	1	Chemie (POP)
6	G (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN) PubChem (32051)
7	H, I, J (A)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
8	K, L, M (A, B, C)	water	water		18.0	132	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	69863.4
Non-Polymers*	Number of molecules	7
	Total formula weight	639.4
All*	Total formula weight	70502.8

*Water molecules are not included.