3ME3

Activator-Bound Structure of Human Pyruvate Kinase M2

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	Pyruvate kinase isozymes M1/M2	polymer	550	60050.1	4	UniProt (P14618) Pfam (PF00224) Pfam (PF02887) In PDB	Homo sapiens (human)	Pyruvate kinase muscle isozyme, Pyruvate kinase 2/3, Cytosolic thyroid hormone-binding protein, CTHBP, Thyroid hormone-binding protein 1, THBP1, Opa-interacting protein 3, OIP-3, p58, Tumor M2-PK
2	A, D	3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline	non-polymer		453.5	2	Chemie (3SZ)
3	A, C, B, D	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	4	Chemie (FBP)
4	A, C, B, D	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	B, D, A, C	UNKNOWN ATOM OR ION	non-polymer			42	Chemie (UNX)
6		water	water		18.0	675	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 531 (UniProt: P14618)

PDB	External Database	Details
Met -18	-	expression tag
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	4
	Total formula weight	240200.4
Non-Polymers*	Number of molecules	52
	Total formula weight	2651.8
All*	Total formula weight	242852.2

*Water molecules are not included.