8HMS

Crystal Structure of PKM2 mutant C474S

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 PKM	polymer	551	60172.2	4	UniProt (P14618) Pfam (PF00224) Pfam (PF02887) In PDB	Homo sapiens (human)	Cytosolic thyroid hormone-binding protein,CTHBP,Opa-interacting protein 3,OIP-3,Pyruvate kinase 2/3,Pyruvate kinase muscle isozyme,Threonine-protein kinase PKM2,Thyroid hormone-binding protein 1,THBP1,Tumor M2-PK,Tyrosine-protein kinase PKM2,p58
2	A, B, C	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	3	Chemie (FBP)
3	A, B, C, D	OXALATE ION	non-polymer		88.0	4	Chemie (OXL)
4	A, B, C, D	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
5	A, B, C, D	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
6	C, D	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
7		water	water		18.0	420	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ser 474	Cys 474	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240688.8
Non-Polymers*	Number of molecules	22
	Total formula weight	2204.7
All*	Total formula weight	242893.5

*Water molecules are not included.