5W2S

Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	3-oxoacyl-[acyl-carrier-protein] synthase 1	polymer	439	45788.6	1	UniProt (H8ESN0) Pfam (PF00109) Pfam (PF02801) UniProt (by SIFTS) (P9WQD9) In PDB	Mycobacterium tuberculosis (strain ATCC 35801 / TMC 107 / Erdman)	Beta-ketoacyl-ACP synthase 1,KAS 1
2	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
3	A	ISOPROPYL ALCOHOL	non-polymer		60.1	1	Chemie (IPA)
4	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A	N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide	non-polymer		267.3	1	Chemie (KMG)
6		water	water		18.0	79	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	5
	Total formula weight	534.6
All*	Total formula weight	46323.2

*Water molecules are not included.