4WJ8

Human Pyruvate Kinase M2 Mutant C424A

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	551	60156.2	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, L, R, V (A, B, C, D)	OXALIC ACID	non-polymer		90.0	4	Chemie (OXD)
3	F, Q (A, C)	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	2	Chemie (FBP)
4	G, O, T, Z (A, B, C, D)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
5	H, N, S, Y (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	AA, BA, I, P, U (D, A, B, C)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
7	J, K, W (A, D)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
8	M, X (B, D)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
9	CA, DA, EA, FA (A, B, C, D)	water	water		18.0	163	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
Ala 424	Cys 424	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240624.8
Non-Polymers*	Number of molecules	24
	Total formula weight	2231.5
All*	Total formula weight	242856.2

*Water molecules are not included.