3UQA

Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation A54E from Burkholderia pseudomallei complexed with FK506

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Ubiquitin-like protein SMT3, Peptidyl-prolyl cis-trans isomerase	polymer	209	23059.9	1	UniProt (Q12306) UniProt (Q3JK38) Pfam (PF00240) Pfam (PF00254) UniProt (by SIFTS) (Q63J95)	Saccharomyces cerevisiae (Baker's yeast)
2	B (A)	8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN	non-polymer		804.0	1	Chemie (FK5)
3	C (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
4	D (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	E (A)	water	water		18.0	156	Chemie (HOH)

Sequence modifications

A: -85 - 0 (UniProt: Q12306)

PDB	External Database	Details
Met -95	-	expression tag
Gly -94	-	expression tag
His -93	-	expression tag
His -92	-	expression tag
His -91	-	expression tag
His -90	-	expression tag
His -89	-	expression tag
His -88	-	expression tag
Ser -87	-	expression tag
Gly -86	-	expression tag
Ser 1	-	linker

A: 2 - 113 (UniProt: Q3JK38)

PDB	External Database	Details
Glu 54	Ala 54	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	23059.9
Non-Polymers*	Number of molecules	3
	Total formula weight	945.6
All*	Total formula weight	24005.5

*Water molecules are not included.