8OQP

Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	3-hydroxyacyl-CoA dehydrogenase	polymer	736	78005.8	2	UniProt (O53872) Pfam (PF00378) Pfam (PF02737) Pfam (PF00725) In PDB	Mycobacterium tuberculosis H37Rv
2	C, D	Putative acyltransferase Rv0859	polymer	403	42460.4	2	UniProt (O53871) Pfam (PF00108) Pfam (PF02803) In PDB	Mycobacterium tuberculosis H37Rv
3	B, C, A, D	SULFATE ION	non-polymer		96.1	19	Chemie (SO4)
4	A, D, B	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
5	C, A, D, B	2-azanyl-5-sulfo-benzoic acid	non-polymer		217.2	14	Chemie (VXZ)
6		water	water		18.0	575	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	40
	Total formula weight	5510.6
All*	Total formula weight	246443.0

*Water molecules are not included.