5WFZ

Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 8e (SRI-30049)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Polymerase acidic protein	polymer	197	23134.3	1	UniProt (C3W5S0) In PDB	Influenza A virus
2	A	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	A	2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide	non-polymer		566.4	1	Chemie (KU0)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	30	Chemie (HOH)

Sequence modifications

A: 1 - 50 (UniProt: C3W5S0)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

A: 73 - 196 (UniProt: C3W5S0)

PDB	External Database	Details
Gly 51	-	linker
Gly 52	-	linker
Ser 53	-	linker
Asp 119	Glu 119	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	23134.3
Non-Polymers*	Number of molecules	6
	Total formula weight	960.5
All*	Total formula weight	24094.8

*Water molecules are not included.