8OPY

Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ

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	E, F, L (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	AA, BA, CA, DA, G... (D, A, B, C)	SULFATE ION	non-polymer		96.1	21	Chemie (SO4)
5	Y, Z (D)	6,7-DINITROQUINOXALINE-2,3-DIONE	non-polymer		250.1	2	Chemie (DNQ)
6	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	132	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	26
	Total formula weight	2793.9
All*	Total formula weight	243726.2

*Water molecules are not included.