8QZI

Crystal structure of PptT-ACP from Mycobacterium tuberculosis

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)	4'-phosphopantetheinyl transferase PptT	polymer	247	26908.9	4	UniProt (O33336) Pfam (PF17837) Pfam (PF01648)	Mycobacterium tuberculosis
2	E, F (E, F)	Phenolphthiocerol/phthiocerol polyketide synthase subunit C	polymer	172	18568.8	2	UniProt (P96202) Pfam (PF00550)	Mycobacterium tuberculosis H37Rv	(Phenol)carboxyphthiodiolenone synthase subunit C,Beta-ketoacyl-acyl-carrier-protein synthase I,Phthiocerol synthesis polyketide synthase type I PpsC
3	G, J, M, Q (A, B, C, D)	COENZYME A	non-polymer		767.5	4	Chemie (COA)
4	H, I, K, L, N... (A, B, C, D)	MANGANESE (II) ION	non-polymer		54.9	8	Chemie (MN)
5	P, T (C, E)	ISOPROPYL ALCOHOL	non-polymer		60.1	2	Chemie (IPA)
6	U, V, W, X, Y... (A, B, C, D, E...)	water	water		18.0	50	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 227 (UniProt: O33336)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

E, F: 2042 - 2188 (UniProt: P96202)

PDB	External Database	Details
Mse 2021	-	initiating methionine
Gly 2022	-	expression tag
Ser 2023	-	expression tag
Ser 2024	-	expression tag
His 2025	-	expression tag
His 2026	-	expression tag
His 2027	-	expression tag
His 2028	-	expression tag
His 2029	-	expression tag
His 2030	-	expression tag
Ser 2031	-	expression tag
Ser 2032	-	expression tag
Gly 2033	-	expression tag
Leu 2034	-	expression tag
Val 2035	-	expression tag
Pro 2036	-	expression tag
Arg 2037	-	expression tag
Gly 2038	-	expression tag
Ser 2039	-	expression tag
His 2040	-	expression tag
Mse 2041	-	expression tag
Thr 2189	-	expression tag
Ser 2190	-	expression tag
Gly 2191	-	expression tag
Ser 2192	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	144773.0
Non-Polymers*	Number of molecules	14
	Total formula weight	3629.8
All*	Total formula weight	148402.8

*Water molecules are not included.