6V76

Crystal Structure of Human PKM2 in Complex with L-valine

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 (C, A, B, D)	Pyruvate kinase PKM	polymer	550	60050.1	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, P (C, A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	F (C)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
4	G, T (C, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	H, Q, U, Z (C, A, B, D)	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	4	Chemie (FBP)
6	AA, BA, CA, I, J... (D, C, A, B)	GLYCEROL	non-polymer		92.1	12	Chemie (GOL)
7	N, X (C, B)	OXALATE ION	non-polymer		88.0	2	Chemie (OXL)
8	O, Y (C, B)	VALINE	non-polymer		117.1	2	Chemie (VAL)
9	DA, EA, FA, GA (C, A, B, D)	water	water		18.0	64	Chemie (HOH)

Sequence modifications

C, A, B, 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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240200.4
Non-Polymers*	Number of molecules	25
	Total formula weight	3034.5
All*	Total formula weight	243234.9

*Water molecules are not included.