5X0I

Crystal structure of PKM2 R399E mutant complexed with FBP and serine

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	60160.2	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, J, O, T (A, B, C, D)	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	4	Chemie (FBP)
3	F, K, P, U (A, B, C, D)	SERINE	non-polymer		105.1	4	Chemie (SER)
4	G, L, Q, V (A, B, C, D)	PYRUVIC ACID	non-polymer		88.1	4	Chemie (PYR)
5	H, M, R, W (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	I, N, S, X (A, B, C, D)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
7	AA, BA, Y, Z (C, D, A, B)	water	water		18.0	45	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -19	-	expression tag
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
Glu 399	Arg 399	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240640.7
Non-Polymers*	Number of molecules	20
	Total formula weight	2386.7
All*	Total formula weight	243027.4

*Water molecules are not included.