6O4A

CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF355

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)	Ubiquitin-like protein SMT3,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, H (A, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	F, G, I, J (A, B, C, D)	2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate	non-polymer		431.5	4	Chemie (LLD)
4	K, L, M, N (A, B, C, D)	water	water		18.0	502	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	6
	Total formula weight	1806.2
All*	Total formula weight	93813.5

*Water molecules are not included.