2F17

Mouse Thiamin Pyrophosphokinase in a Ternary Complex with Pyrithiamin Pyrophosphate and AMP at 2.5 angstrom

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Thiamin pyrophosphokinase 1	polymer	263	29268.4	2	UniProt (Q9R0M5) Pfam (PF04263) Pfam (PF04265) In PDB	Mus musculus (house mouse)	Thiamine pyrophosphokinase 1, mTPK1
2	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A, B	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	A, B	1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM	non-polymer		419.3	2	Chemie (PYI)
5	A	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	1	Chemie (AMP)
6	B	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
7		water	water		18.0	132	Chemie (HOH)

Sequence modifications

A, B: 1 - 243 (UniProt: Q9R0M5)

PDB	External Database	Details
Met -19	-	cloning artifact
Gly -18	-	cloning artifact
Ser -17	-	cloning artifact
Ser -16	-	cloning artifact
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	-	cloning artifact
Ser -8	-	cloning artifact
Gly -7	-	cloning artifact
Leu -6	-	cloning artifact
Val -5	-	cloning artifact
Pro -4	-	cloning artifact
Arg -3	-	cloning artifact
Gly -2	-	cloning artifact
Ser -1	-	cloning artifact
His 0	-	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	58536.8
Non-Polymers*	Number of molecules	12
	Total formula weight	2049.1
All*	Total formula weight	60585.9

*Water molecules are not included.