4GGQ

Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with CJ40

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 (C, A, B, 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
2	E, G (C, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	F, I, J, K (C, A, B, D)	3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate	non-polymer		491.6	4	Chemie (861)
4	H (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	L, M, N, O (C, A, B, D)	water	water		18.0	424	Chemie (HOH)

Sequence modifications

C, A, B, D: -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

C, A, B, 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	7
	Total formula weight	2152.7
All*	Total formula weight	94160.0

*Water molecules are not included.