8OQN

Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53

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 H37Rv
3	AA, BA, CA, DA, E... (C, A, D, B)	SULFATE ION	non-polymer		96.1	24	Chemie (SO4)
4	I, J, K, L, M... (A, B)	1-benzyl-1H-pyrazole-4-carboxylic acid	non-polymer		202.2	11	Chemie (W3U)
5	NA, OA, PA, QA (A, B, C, D)	water	water		18.0	188	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	35
	Total formula weight	4529.8
All*	Total formula weight	245462.1

*Water molecules are not included.