7FS3

Structure of liver pyruvate kinase in complex with allosteric modulator 15

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... (A, B, C, D, E...)	Pyruvate kinase PKLR	polymer	447	48285.4	8	UniProt (P30613) Pfam (PF00224) Pfam (PF02887)	Homo sapiens (human)	Pyruvate kinase 1,Pyruvate kinase isozymes L/R,R-type/L-type pyruvate kinase,Red cell/liver pyruvate kinase
2	AA, GA, I, M, NA... (E, F, A, B, G...)	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	8	Chemie (FBP)
3	BA, HA, J, N, OA... (E, F, A, B, G...)	OXALATE ION	non-polymer		88.0	8	Chemie (OXL)
4	CA, IA, K, O, PA... (E, F, A, B, G...)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
5	DA, JA, L, P, QA... (E, F, A, B, G...)	POTASSIUM ION	non-polymer		39.1	8	Chemie (K)
6	EA, FA, KA, LA, MA... (E, F, G, C, D)	N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide	non-polymer		543.6	8	Chemie (O9I)
7	AB, BB, CB, DB, WA... (E, F, G, H, A...)	water	water		18.0	3175	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 3 - 129 (UniProt: P30613)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Met 1	-	expression tag
Glu 2	-	expression tag
Asp 12	Ser 43	conflict

A, B, C, D, E, F, G, H: 231 - 543 (UniProt: P30613)

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	40
	Total formula weight	8280.8
All*	Total formula weight	394563.9

*Water molecules are not included.