4C6V

Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min)

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	45820.7	1	UniProt (I6Y8T4)	MYCOBACTERIUM TUBERCULOSIS	BETA-KETOACYL ACP SYNTHASE
2	B (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
3	C (A)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
4	D (A)	(5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one	non-polymer		238.3	1	Chemie (TLG)
5	E (A)	water	water		18.0	88	Chemie (HOH)

Sequence modifications

A: 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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45820.7
Non-Polymers*	Number of molecules	3
	Total formula weight	339.5
All*	Total formula weight	46160.2

*Water molecules are not included.