8G2E

PKM2 bound to compound 2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Pyruvate kinase PKM	polymer	550	60050.1	1	UniProt (P14618) Pfam (PF00224) Pfam (PF02887)	Homo sapiens (human)	Cytosolic thyroid hormone-binding protein,CTHBP,Opa-interacting protein 3,OIP-3,Pyruvate kinase 2/3,Pyruvate kinase muscle isozyme,Thyroid hormone-binding protein 1,THBP1,Tumor M2-PK,p58
2	B (A)	3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one	non-polymer		366.4	1	Chemie (YII)
3	C, D, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	E (A)	OXALATE ION	non-polymer		88.0	1	Chemie (OXL)
5	G, H, I, J, K... (A)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
6	Q (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
7	R (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
8	S (A)	water	water		18.0	533	Chemie (HOH)

Sequence modifications

A: 1 - 531 (UniProt: P14618)

PDB	External Database	Details
Met -18	-	initiating methionine
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	60050.1
Non-Polymers*	Number of molecules	17
	Total formula weight	1648.6
All*	Total formula weight	61698.7

*Water molecules are not included.