8TBS

Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946

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 PKLR	polymer	544	58665.2	8	UniProt (P30613) Pfam (PF00224) Pfam (PF02887) In PDB	Homo sapiens (human)	Pyruvate kinase 1,Pyruvate kinase isozymes L/R,R-type/L-type pyruvate kinase,Red cell/liver pyruvate kinase
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...	MANGANESE (II) ION	non-polymer		54.9	8	Chemie (MN)
4	E, F, A, G, B...	POTASSIUM ION	non-polymer		39.1	6	Chemie (K)
5	E, F, A, G, H...	PYRUVIC ACID	non-polymer		88.1	8	Chemie (PYR)
6	F, B, H, D	6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one	non-polymer		392.4	4	Chemie (HVI)
7		water	water		18.0	543	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 50 - 574 (UniProt: P30613)

PDB	External Database	Details
Met 31	-	initiating methionine
Gly 32	-	expression tag
Ser 33	-	expression tag
Ser 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag
His 39	-	expression tag
His 40	-	expression tag
Ser 41	-	expression tag
Ser 42	-	expression tag
Gly 43	-	expression tag
Leu 44	-	expression tag
Val 45	-	expression tag
Pro 46	-	expression tag
Arg 47	-	expression tag
Gly 48	-	expression tag
Ser 49	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	469321.4
Non-Polymers*	Number of molecules	34
	Total formula weight	5669.3
All*	Total formula weight	474990.7

*Water molecules are not included.