8HMU

Crystal Structure of PKM2 mutant R516C

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	60134.2	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,Threonine-protein kinase PKM2,Thyroid hormone-binding protein 1,THBP1,Tumor M2-PK,Tyrosine-protein kinase PKM2,p58
2	E, EA, M, V, X (A, D, B, C)	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	5	Chemie (FBP)
3	F, FA, N, R, W (A, D, B, C)	OXALATE ION	non-polymer		88.0	5	Chemie (OXL)
4	G, IA, O, P, S... (A, D, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
5	AA, BA, GA, H, HA... (C, D, A, B)	PHOSPHATE ION	non-polymer		95.0	10	Chemie (PO4)
6	CA, DA, K, L, MA... (C, A, D, B)	MAGNESIUM ION	non-polymer		24.3	7	Chemie (MG)
7	JA, Q (D, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	OA, PA, QA, RA (A, B, C, D)	water	water		18.0	258	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
Cys 516	Arg 516	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240536.8
Non-Polymers*	Number of molecules	36
	Total formula weight	3879.2
All*	Total formula weight	244416.0

*Water molecules are not included.