6Y2I

Crystal structure of M. tuberculosis KasA in complex with N-(1H-indazol-5-yl)butane-1-sulfonamide

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AAA, BBB)	3-oxoacyl-[acyl-carrier-protein] synthase 1	polymer	435	45400.1	2	UniProt (P9WQD9) Pfam (PF00109) Pfam (PF02801)	Mycobacterium tuberculosis H37Rv	Beta-ketoacyl-ACP synthase 1,KAS 1
2	C, D, E, F, G... (AAA, BBB)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
3	H, P (AAA, BBB)	~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide	non-polymer		253.3	2	Chemie (O6Z)
4	I, Q (AAA, BBB)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	J, R (AAA, BBB)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
6	S, T (AAA, BBB)	water	water		18.0	870	Chemie (HOH)

Sequence modifications

AAA, BBB: 2 - 416 (UniProt: P9WQD9)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90800.3
Non-Polymers*	Number of molecules	16
	Total formula weight	1561.8
All*	Total formula weight	92362.0

*Water molecules are not included.