8DIP

The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Protein PA-X	polymer	197	23136.3	1	UniProt (C6H0Y9) Pfam (PF00603) In PDB	Influenza A virus
2	A	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
3	A	Hexa Vinylpyrrolidone K15	non-polymer		668.9	1	Chemie (QQ4)
4	A	(2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide	non-polymer		434.4	1	Chemie (SE9)
5	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	25	Chemie (HOH)

Sequence modifications

A: 1 - 50 (UniProt: C6H0Y9)

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
Thr 38	Ile 38	engineered mutation

A: 73 - 196 (UniProt: C6H0Y9)

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	23136.3
Non-Polymers*	Number of molecules	5
	Total formula weight	1309.2
All*	Total formula weight	24445.5

*Water molecules are not included.