6B7D

Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine

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	3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine	non-polymer		248.7	1	Chemie (CWG)
3	A, B	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
4	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5	B	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
6		water	water		18.0	387	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	11
	Total formula weight	1077.5
All*	Total formula weight	38882.9

*Water molecules are not included.