9BKZ

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Dephospho-CoA kinase	polymer	214	23850.1	2	UniProt (A0A0H3FR62) Pfam (PF01121)	Klebsiella aerogenes	Dephosphocoenzyme A kinase
2	C, F (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
3	D (A)	COENZYME A	non-polymer		767.5	1	Chemie (COA)
4	E (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
5	G, H (A, B)	water	water		18.0	12	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	47700.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1740.1
All*	Total formula weight	49440.3

*Water molecules are not included.