8HMQ

Crystal Structure of PKM2 mutant P403A

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	60162.2	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, N, U, Z (A, B, C, D)	OXALATE ION	non-polymer		88.0	4	Chemie (OXL)
3	BA, DA, F, G, P... (D, A, B, C)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
4	CA, H, I, J, X (D, A, C)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
5	EA, FA, K, L, M... (D, A, B, C)	MAGNESIUM ION	non-polymer		24.3	9	Chemie (MG)
6	AA, O, V (D, B, C)	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	3	Chemie (FBP)
7	GA, HA, IA, JA (A, B, C, D)	water	water		18.0	110	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 403	Pro 403	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240648.8
Non-Polymers*	Number of molecules	28
	Total formula weight	2546.2
All*	Total formula weight	243195.0

*Water molecules are not included.