8XW8

Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and GDP

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	polymer	521	56993.6	4	UniProt (Q8DQ84) Pfam (PF00224) Pfam (PF02887)	Streptococcus pneumoniae R6
2	BA, CA, E, F, M... (D, A, B, C)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
3	DA, G, O, W (D, A, B, C)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
4	EA, H, P, X (D, A, B, C)	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	4	Chemie (FBP)
5	FA, I, Q, Y (D, A, B, C)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	4	Chemie (GDP)
6	GA, J, R, Z (D, A, B, C)	OXALATE ION	non-polymer		88.0	4	Chemie (OXL)
7	AA, HA, K, L, S... (C, D, A, B)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
8	IA, JA, KA, LA (A, B, C, D)	water	water		18.0	1806	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 501 (UniProt: Q8DQ84)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	227974.4
Non-Polymers*	Number of molecules	30
	Total formula weight	4388.7
All*	Total formula weight	232363.1

*Water molecules are not included.