8QK4

Dehydratase domain (PksJ DH1) from the bacillaene trans-AT PKS

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	341	37092.4	2	UniProt (P40806) Pfam (PF21089) Pfam (PF14765)	Bacillus subtilis subsp. subtilis str. 168	PKS
2	C, D, G, H, I (A)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
3	E, F (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	J (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	K, L (A, B)	water	water		18.0	190	Chemie (HOH)

Sequence modifications

A, B: 14 - 320 (UniProt: P40806)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Ala 1	-	expression tag
Ser 2	-	expression tag
Met 3	-	expression tag
Thr 4	-	expression tag
Gly 5	-	expression tag
Gly 6	-	expression tag
Gln 7	-	expression tag
Gln 8	-	expression tag
Met 9	-	expression tag
Gly 10	-	expression tag
Arg 11	-	expression tag
Gly 12	-	expression tag
Ser 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74184.9
Non-Polymers*	Number of molecules	8
	Total formula weight	541.9
All*	Total formula weight	74726.8

*Water molecules are not included.