5SCI

Structure of liver pyruvate kinase in complex with anthraquinone derivative 105

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Pyruvate kinase	polymer	447	48285.4	8	UniProt (Q16716) Pfam (PF00224) Pfam (PF02887) UniProt (by SIFTS) (P30613) In PDB	Homo sapiens (human)
2	F, A, G, B, H...	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	8	Chemie (FBP)
3	E, F, A, G, B...	OXALATE ION	non-polymer		88.0	8	Chemie (OXL)
4	E, F, A, G, B...	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
5	E, F, A, G, B...	POTASSIUM ION	non-polymer		39.1	8	Chemie (K)
6	E, F, G, C	dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate	non-polymer		574.6	4	Chemie (I9F)
7		water	water		18.0	1591	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 129 (UniProt: Q16716)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Asp 12	Ser 35	conflict

A, B, C, D, E, F, G, H: 231 - 543 (UniProt: Q16716)

PDB	External Database	Details
Gly 130	-	linker
Ser 131	-	linker
Gly 132	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	386283.0
Non-Polymers*	Number of molecules	36
	Total formula weight	6230.5
All*	Total formula weight	392513.6

*Water molecules are not included.