5EXK

Crystal structure of M. tuberculosis lipoyl synthase with 6-thiooctanoyl peptide intermediate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I...	Lipoyl synthase	polymer	331	36939.9	6	UniProt (P9WK91) Pfam (PF16881) Pfam (PF04055) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Lip-syn,LS,Lipoate synthase,Lipoic acid synthase,Sulfur insertion protein LipA
2	B, D, F, H, J...	Octanoylated peptide from M. tuberculosis H protein	polymer	8	1010.1	6	UniProt (by SIFTS) (P9WN55) In PDB	Mycobacterium tuberculosis
3	G, I, K, A, C...	FE3-S4 CLUSTER	non-polymer		295.8	6	Chemie (F3S)
4	G, I, K, A, C...	IRON/SULFUR CLUSTER	non-polymer		351.6	6	Chemie (SF4)
5	G, I, K, A, C...	5'-DEOXYADENOSINE	non-polymer		251.2	6	Chemie (5AD)
6	E, G, I, K, A...	METHIONINE	non-polymer		149.2	6	Chemie (MET)
7	E, A	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
8	K, A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
9	C	ISOPROPYL ALCOHOL	non-polymer		60.1	1	Chemie (IPA)
10		water	water		18.0	2139	Chemie (HOH)

Sequence modifications

A, C, E, G, I, K: 1 - 311 (UniProt: P9WK91)

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

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	227700.2
Non-Polymers*	Number of molecules	29
	Total formula weight	6556.5
All*	Total formula weight	234256.6

*Water molecules are not included.