7KBC

The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D (construct with truncated loop 51-72) in complex with baloxavir acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Protein PA-X	polymer	197	23134.3	1	UniProt (A0A4P2TE19) UniProt (C6H0Y9) Pfam (PF00603) UniProt (by SIFTS) (A0A5J6VBC3)	Influenza A virus
2	B (A)	Baloxavir acid	non-polymer		483.5	1	Chemie (E4Z)
3	C (A)	Hexa Vinylpyrrolidone K15	non-polymer		668.9	1	Chemie (QQ4)
4	D, E, F, G, H (A)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	I, J (A)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
6	K (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
7	L (A)	water	water		18.0	49	Chemie (HOH)

Sequence modifications

A: 1 - 50 (UniProt: A0A4P2TE19)

PDB	External Database	Details
Met -19	-	expression tag
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
Gly 51	-	linker
Gly 52	-	linker
Ser 53	-	linker

A: 73 - 196 (UniProt: C6H0Y9)

PDB	External Database	Details
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	10
	Total formula weight	1818.8
All*	Total formula weight	24953.1

*Water molecules are not included.