8TBU

Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12

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, H, A, D	6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one	non-polymer		326.4	4	Chemie (I0R)
3	F, G, A, B, C...	PYRUVIC ACID	non-polymer		88.1	6	Chemie (PYR)
4	F, G, H, A, B...	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	8	Chemie (FBP)
5	F, G, H, A, B...	MANGANESE (II) ION	non-polymer		54.9	8	Chemie (MN)
6	A, D	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
7		water	water		18.0	1544	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	28
	Total formula weight	5072.5
All*	Total formula weight	474393.9

*Water molecules are not included.