4QVH

Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein

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)	Maltose-binding periplasmic protein, 4'-phosphopantetheinyl transferase chimera	polymer	598	65169.3	2	UniProt (P0AEX9) UniProt (O33336) Pfam (PF01547) Pfam (PF17837) Pfam (PF01648)	Escherichia coli	MBP, MMBP, Maltodextrin-binding protein, Phosphopantetheinyl transferase PptT (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrier protein]pantetheinephosphotransferase)
2	C, D (C, D)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
3	E, L (A, B)	COENZYME A	non-polymer		767.5	2	Chemie (COA)
4	F, M (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	G, H, I, J, N... (A, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
6	K, Q (A, B)	CITRATE ANION	non-polymer		189.1	2	Chemie (FLC)
7	R, S (A, B)	water	water		18.0	778	Chemie (HOH)

Sequence modifications

A, B: 2 - 367 (UniProt: P0AEX9)

PDB	External Database	Details
Met 1	-	expression tag
Ala 173	Glu 198	conflict
Ala 174	Asn 199	conflict
Ala 360	Glu 385	conflict
Ala 363	Lys 388	conflict
Ala 364	Asp 389	conflict
Asn 368	-	expression tag
Ala 369	-	expression tag
Ala 370	-	expression tag
Ala 371	-	expression tag

A, B: 372 - 598 (UniProt: O33336)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	130338.5
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	13
	Total formula weight	2606.5
All*	Total formula weight	133629.6

*Water molecules are not included.