4NA3

Crystal Structure of the second ketosynthase from the bacillaene polyketide synthase bound to a hexanoyl substrate mimic

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)	Polyketide synthase PksJ	polymer	637	70496.1	2	UniProt (P40806) Pfam (PF00109) Pfam (PF02801) Pfam (PF22336)	Bacillus subtilis subsp. subtilis	PKS
2	C, D, E, F, G... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
3	I, J (A, B)	water	water		18.0	110	Chemie (HOH)

Sequence modifications

A, B: 1 - 618 (UniProt: P40806)

PDB	External Database	Details
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
Ser 0	-	expression tag
2jg 176	Cys 3511	engineered mutation
Gly 617	Glu 3952	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	140992.2
Non-Polymers*	Number of molecules	6
	Total formula weight	576.4
All*	Total formula weight	141568.5

*Water molecules are not included.