6TH2

Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Coenzyme A biosynthesis bifunctional protein CoaBC	polymer	237	24774.0	4	UniProt (A0QWT2) Pfam (PF04127)	Mycolicibacterium smegmatis MC2 155	DNA/pantothenate metabolism flavoprotein
2	E, I, M, R (A, B, C, D)	CYTIDINE-5'-TRIPHOSPHATE	non-polymer		483.2	4	Chemie (CTP)
3	F, J, N, S (A, B, C, D)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	G, K, O, P, T (A, B, C, D)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
5	H, L, Q, U (A, B, C, D)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	4	Chemie (MES)
6	V, W, X, Y (A, B, C, D)	water	water		18.0	617	Chemie (HOH)

Sequence modifications

A, B, C, D: 186 - 414 (UniProt: A0QWT2)

PDB	External Database	Details
Met 178	-	initiating methionine
Ala 179	-	expression tag
His 180	-	expression tag
His 181	-	expression tag
His 182	-	expression tag
His 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	99096.0
Non-Polymers*	Number of molecules	17
	Total formula weight	3169.1
All*	Total formula weight	102265.1

*Water molecules are not included.