5W92

Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - 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 (A)	Polymerase acidic protein	polymer	197	23148.3	1	UniProt (C3W5S0)	Influenza A virus
2	B, C (A)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
3	D (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)
4	E (A)	1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one	non-polymer		541.7	1	Chemie (9HD)
5	F (A)	water	water		18.0	16	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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	23148.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1218.0
All*	Total formula weight	24366.3

*Water molecules are not included.