6ARI

Crystal structure of a dephospho-CoA kinase from Escherichia coli in complex with inhibitor CM078

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Dephospho-CoA kinase	polymer	214	23620.7	2	UniProt (P0A6I9) Pfam (PF01121) In PDB	Escherichia coli (strain K12)	Dephosphocoenzyme A kinase
2	A, B	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
3	A, B	N-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide	non-polymer		327.4	2	Chemie (BQV)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
5		water	water		18.0	302	Chemie (HOH)

Sequence modifications

A, B: 1 - 206 (UniProt: P0A6I9)

PDB	External Database	Details
Gly 207	-	expression tag
Ser 208	-	expression tag
His 209	-	expression tag
His 210	-	expression tag
His 211	-	expression tag
His 212	-	expression tag
His 213	-	expression tag
His 214	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47241.3
Non-Polymers*	Number of molecules	12
	Total formula weight	1535.7
All*	Total formula weight	48777.0

*Water molecules are not included.