5WG9

Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9b (SRI-30101)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Polymerase acidic protein	polymer	197	23134.3	1	UniProt (C3W5S0)	Influenza A virus
2	B, C (A)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
3	D, E (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	F (A)	2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide	non-polymer		511.0	1	Chemie (KU4)
5	G (A)	water	water		18.0	19	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	5
	Total formula weight	813.0
All*	Total formula weight	23947.3

*Water molecules are not included.