6NEL

4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease

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	241	28505.3	1	UniProt (C6H0Y9) Pfam (PF00603) In PDB	Influenza A virus (A/Luxembourg/43/2009(H1N1))
2	A	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid	non-polymer		325.3	1	Chemie (KKV)
5	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	94	Chemie (HOH)

Sequence modifications

A: 1 - 204 (UniProt: C6H0Y9)

PDB	External Database	Details
Met -36	-	initiating methionine
Ala -35	-	expression tag
His -34	-	expression tag
His -33	-	expression tag
His -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
Ser -28	-	expression tag
Arg -27	-	expression tag
Ala -26	-	expression tag
Trp -25	-	expression tag
Arg -24	-	expression tag
His -23	-	expression tag
Pro -22	-	expression tag
Gln -21	-	expression tag
Phe -20	-	expression tag
Gly -19	-	expression tag
Gly -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ala -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Leu -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Val 201	Ile 201	conflict
Arg 204	Lys 204	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28505.3
Non-Polymers*	Number of molecules	5
	Total formula weight	555.5
All*	Total formula weight	29060.8

*Water molecules are not included.