6B7C

Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with N-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Phosphopantetheine adenylyltransferase	polymer	167	18902.7	2	UniProt (P0A6I6) Pfam (PF01467) In PDB	Escherichia coli (strain K12)	Dephospho-CoA pyrophosphorylase,Pantetheine-phosphate adenylyltransferase,PPAT
2	A, B	N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine	non-polymer		256.3	2	Chemie (CWP)
3	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
5	A, B	PYROPHOSPHATE 2-	non-polymer		176.0	2	Chemie (POP)
6	A, B	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
7		water	water		18.0	422	Chemie (HOH)

Sequence modifications

A, B: 1 - 159 (UniProt: P0A6I6)

PDB	External Database	Details
Val 160	-	expression tag
Asp 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
His 167	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37805.5
Non-Polymers*	Number of molecules	14
	Total formula weight	1801.5
All*	Total formula weight	39607.0

*Water molecules are not included.