4Q1J

Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	Polyketide biosynthesis enoyl-CoA isomerase PksI	polymer	268	30008.4	3	UniProt (P40802) Pfam (PF00378) In PDB	Bacillus subtilis
2	A, B, C	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
3	C	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4		water	water		18.0	258	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 249 (UniProt: P40802)

PDB	External Database	Details
Met -18	-	expression tag
Ala -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
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag
Ala 230	His 230	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	90025.3
Non-Polymers*	Number of molecules	11
	Total formula weight	643.7
All*	Total formula weight	90669.0

*Water molecules are not included.