7AGU

Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis acylated with MethylMalonyl-coenzyme A

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)	Mycocerosic acid synthase	polymer	439	46530.5	2	UniProt (Q02251) Pfam (PF16197) Pfam (PF00698)	Mycobacterium bovis (strain ATCC BAA-935 / AF2122/97)
2	C (A)	METHYLMALONIC ACID	non-polymer		118.1	1	Chemie (DXX)
3	D (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	E, F (A, B)	water	water		18.0	32	Chemie (HOH)

Sequence modifications

A, B: 447 - 871 (UniProt: Q02251)

PDB	External Database	Details
Met 435	-	initiating methionine
Gly 436	-	expression tag
Ser 437	-	expression tag
Ser 438	-	expression tag
His 439	-	expression tag
His 440	-	expression tag
His 441	-	expression tag
His 442	-	expression tag
His 443	-	expression tag
His 444	-	expression tag
Ser 445	-	expression tag
Ser 446	-	expression tag
Phe 726	Ser 726	engineered mutation
Gly 872	-	cloning artifact
Ser 873	-	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	93061.0
Non-Polymers*	Number of molecules	2
	Total formula weight	180.2
All*	Total formula weight	93241.2

*Water molecules are not included.