9KA6

Crystal structure of beta-ketoacyl-ACP synthase FabH C112Q in complex with acyl-ACP from E. coli

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Beta-ketoacyl-[acyl-carrier-protein] synthase III	polymer	337	35743.4	2	UniProt (P0A6R0) Pfam (PF08545) Pfam (PF08541)	Escherichia coli	Beta-ketoacyl-ACP synthase III,KAS III,3-oxoacyl-[acyl-carrier-protein] synthase 3,3-oxoacyl-[acyl-carrier-protein] synthase III,EcFabH
2	C (C)	Acyl carrier protein	polymer	84	9474.3	1	UniProt (P0A6A8) Pfam (PF00550)	Escherichia coli	ACP,Cytosolic-activating factor,CAF,Fatty acid synthase acyl carrier protein
3	D (C)	~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate	non-polymer		400.4	1	Chemie (6VG)	Escherichia coli
4	E, F, G (A, B, C)	water	water		18.0	978	Chemie (HOH)

Sequence modifications

A, B: 1 - 317 (UniProt: P0A6R0)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Gln 112	Cys 112	engineered mutation

C: 2 - 77 (UniProt: P0A6A8)

PDB	External Database	Details
Met 1	-	initiating methionine
Ser 78	-	expression tag
His 79	-	expression tag
His 80	-	expression tag
His 81	-	expression tag
His 82	-	expression tag
His 83	-	expression tag
His 84	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	80961.1
Non-Polymers*	Number of molecules	1
	Total formula weight	400.4
All*	Total formula weight	81361.5

*Water molecules are not included.