7O4S

Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and additional binding site (CoA(ECH2))

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)	3-hydroxyacyl-CoA dehydrogenase	polymer	736	78005.8	2	UniProt (O53872) Pfam (PF00378) Pfam (PF02737) Pfam (PF00725)	Mycobacterium tuberculosis H37Rv
2	C, D (C, D)	Putative acyltransferase Rv0859	polymer	403	42460.4	2	UniProt (O53871) Pfam (PF00108) Pfam (PF02803)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
3	AA, BA, CA, DA, E... (C, A, D, B)	SULFATE ION	non-polymer		96.1	26	Chemie (SO4)
4	K, N, T, W (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	FA, L, M, OA, U... (C, A, D, B)	COENZYME A	non-polymer		767.5	6	Chemie (COA)
6	GA (C)	3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE	non-polymer		507.2	1	Chemie (PAP)
7	PA (D)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
8	QA, RA, SA, TA (A, B, C, D)	water	water		18.0	111	Chemie (HOH)

Sequence modifications

A, B: 1 - 720 (UniProt: O53872)

PDB	External Database	Details
Met -15	-	initiating methionine
Gly -14	-	expression tag
Ser -13	-	expression tag
Ser -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Ser -5	-	expression tag
Gln -4	-	expression tag
Asp -3	-	expression tag
Pro -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240932.3
Non-Polymers*	Number of molecules	38
	Total formula weight	8405.6
All*	Total formula weight	249337.9

*Water molecules are not included.