3AHG

H64A mutant of Phosphoketolase from Bifidobacterium Breve complexed with a tricyclic ring form of thiamine diphosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Xylulose 5-phosphate/fructose 6-phosphate phosphoketolase	polymer	845	94895.8	1	UniProt (D6PAH1) Pfam (PF09364) Pfam (PF03894) Pfam (PF09363)	Bifidobacterium breve	PHOSPHOKETOLASE
2	B (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	C (A)	2-[(9aR)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate	non-polymer		424.3	1	Chemie (HTD)
4	D (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5	E, F, G, H, I... (A)	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
6	P (A)	water	water		18.0	819	Chemie (HOH)

Sequence modifications

A: 1 - 825 (UniProt: D6PAH1)

PDB	External Database	Details
Met -19	-	expression tag
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 64	His 64	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	94895.8
Non-Polymers*	Number of molecules	14
	Total formula weight	1154.3
All*	Total formula weight	96050.2

*Water molecules are not included.