6WP4

Pyruvate Kinase M2 mutant-S37E

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 (A, B, C, D)	Pyruvate kinase PKM	polymer	550	60092.1	4	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	E, F, G, JA, KA... (A, D, B, C)	PHOSPHATE ION	non-polymer		95.0	11	Chemie (PO4)
3	AA, H, MA, T (C, A, D, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	BA, I, NA, OA, U (C, A, D, B)	POTASSIUM ION	non-polymer		39.1	5	Chemie (K)
5	J, PA (A, D)	OXALATE ION	non-polymer		88.0	2	Chemie (OXL)
6	CA, DA, EA, FA, GA... (C, A, D, B)	GLYCEROL	non-polymer		92.1	18	Chemie (GOL)
7	HA, IA (C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
8	UA, VA, WA, XA (A, B, C, D)	water	water		18.0	563	Chemie (HOH)

Sequence modifications

A, B, C, D: 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
Glu 37	Ser 37	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240368.5
Non-Polymers*	Number of molecules	42
	Total formula weight	3242.0
All*	Total formula weight	243610.6

*Water molecules are not included.