5KLX

Crystal Structure of SMT Fusion Peptidyl-Prolyl Cis-Trans Isomerase from Burkholderia Pseudomallei Complexed with SF110

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, D (A, B, C, D)	Chimera protein of Ubiquitin-like protein SMT3 and Peptidyl-prolyl cis-trans isomerase	polymer	209	23001.8	4	UniProt (Q12306) UniProt (Q3JK38) Pfam (PF00240) Pfam (PF00254)	Saccharomyces cerevisiae (Baker's yeast)
2	E, I, J, K (A, B, C, D)	2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate	non-polymer		432.5	4	Chemie (6UO)
3	F, L (A, D)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	G, M (A, D)	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
5	H (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	N, O, P, Q (A, B, C, D)	water	water		18.0	139	Chemie (HOH)

Sequence modifications

A, B, C, D: -85 - 0 (UniProt: Q12306)

PDB	External Database	Details
Met -95	-	initiating methionine
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, B, C, D: 2 - 113 (UniProt: Q3JK38)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	92007.3
Non-Polymers*	Number of molecules	9
	Total formula weight	2022.9
All*	Total formula weight	94030.2

*Water molecules are not included.