7T1I

Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385597

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Pantothenate kinase CAB1	polymer	375	41974.2	2	UniProt (Q04430) Pfam (PF03630) In PDB	Saccharomyces cerevisiae S288C	Coenzyme A biosynthesis protein 1,Pantothenic acid kinase CAB1
2	A, B	(8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one	non-polymer		394.5	2	Chemie (E4C)
3	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6		water	water		18.0	223	Chemie (HOH)

Sequence modifications

A, B: 1 - 367 (UniProt: Q04430)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83948.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1571.7
All*	Total formula weight	85520.1

*Water molecules are not included.