6QU3

Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360

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)	ATP-dependent 6-phosphofructokinase	polymer	507	55764.7	4	UniProt (O15648) Pfam (PF00365)	Trypanosoma brucei brucei	Phosphofructokinase,Phosphohexokinase
2	E, I, L, O (A, B, C, D)	1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one	non-polymer		293.1	4	Chemie (JJ5)
3	F, J, M, P (A, B, C, D)	CITRIC ACID	non-polymer		192.1	4	Chemie (CIT)
4	G, K, N, Q (A, B, C, D)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	H (A)	PHOSPHOSERINE	non-polymer		185.1	1	Chemie (SEP)
6	R, S, T, U (A, B, C, D)	water	water		18.0	402	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 487 (UniProt: O15648)

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	223058.8
Non-Polymers*	Number of molecules	13
	Total formula weight	2494.5
All*	Total formula weight	225553.4

*Water molecules are not included.