4C6W

Crystal structure of M. tuberculosis C171Q KasA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1	polymer	439	45845.7	2	UniProt (I6Y8T4) In PDB	MYCOBACTERIUM TUBERCULOSIS H37RV	BETA-KETOACYL ACP SYNTHASE
2	A, B	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
3	A, B	(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate	non-polymer		691.0	2	Chemie (M7U)
4	B	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
5	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6	B	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7		water	water		18.0	857	Chemie (HOH)

Sequence modifications

A, B: 1 - 416 (UniProt: I6Y8T4)

PDB	External Database	Details
Met -22	-	expression tag
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
Gln 171	Cys 171	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91691.4
Non-Polymers*	Number of molecules	8
	Total formula weight	1933.7
All*	Total formula weight	93625.0

*Water molecules are not included.