8U96

Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (ATP bound)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Dephospho-CoA kinase	polymer	214	23850.1	1	UniProt (A0A0H3FR62) Pfam (PF01121) In PDB	Klebsiella aerogenes KCTC 2190	Dephosphocoenzyme A kinase
2	A	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
3	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
4	A	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	146	Chemie (HOH)

Sequence modifications

A: 1 - 206 (UniProt: A0A0H3FR62)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Thr 2	Gly 2	engineered mutation
Ile 127	Val 127	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	23850.1
Non-Polymers*	Number of molecules	4
	Total formula weight	766.9
All*	Total formula weight	24617.0

*Water molecules are not included.