5UGZ

Crystal structure of ClbQ from the colibactin NRPS/PKS pathway

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)	Putative thioesterase	polymer	260	29537.8	2	UniProt (Q0P7K7) Pfam (PF00975)	Escherichia coli	Thioesterase
2	C, D (A, B)	BETA-MERCAPTOETHANOL	non-polymer		78.1	2	Chemie (BME)
3	E, F (A, B)	water	water		18.0	225	Chemie (HOH)

Sequence modifications

A, B: 1 - 240 (UniProt: Q0P7K7)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59075.7
Non-Polymers*	Number of molecules	2
	Total formula weight	156.3
All*	Total formula weight	59232.0

*Water molecules are not included.