5W2O

Crystal structure of Mycobacterium tuberculosis KasA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	3-oxoacyl-[acyl-carrier-protein] synthase 1	polymer	439	45788.6	1	UniProt (H8ESN0) Pfam (PF00109) Pfam (PF02801) UniProt (by SIFTS) (P9WQD9)	Mycobacterium tuberculosis (strain ATCC 35801 / TMC 107 / Erdman)	Beta-ketoacyl-ACP synthase 1,KAS 1
2	B (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
3	C, D, E, F (A)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	G, H, I (A)	ISOPROPYL ALCOHOL	non-polymer		60.1	3	Chemie (IPA)
5	J (A)	3,3',3''-phosphanetriyltripropanoic acid	non-polymer		250.2	1	Chemie (TCE)
6	K (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7	L (A)	water	water		18.0	272	Chemie (HOH)

Sequence modifications

A: 1 - 416 (UniProt: H8ESN0)

PDB	External Database	Details
Met -22	-	initiating methionine
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Val 1	Met 1	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45788.6
Non-Polymers*	Number of molecules	10
	Total formula weight	857.3
All*	Total formula weight	46645.9

*Water molecules are not included.