6NUB

Pyruvate Kinase M2 Mutant - S437Y in Complex with L-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 (A, B)	Pyruvate kinase PKM	polymer	550	60126.2	2	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	C, K (A, B)	SERINE	non-polymer		105.1	2	Chemie (SER)
3	D, L (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, M (A, B)	OXALATE ION	non-polymer		88.0	2	Chemie (OXL)
5	F, N (A, B)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
6	G, H, O, P, Q (A, B)	THIOCYANATE ION	non-polymer		58.1	5	Chemie (SCN)
7	I (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
8	J, T (A, B)	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	2	Chemie (B3P)
9	R (B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
10	S (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
11	U, V (A, B)	water	water		18.0	1017	Chemie (HOH)

Sequence modifications

A, B: 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
Tyr 437	Ser 437	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	120252.4
Non-Polymers*	Number of molecules	18
	Total formula weight	1730.5
All*	Total formula weight	121982.9

*Water molecules are not included.