9SJJ

Crystal structure of SusDdex (BT3089) with bound IMO5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	SusD homolog	polymer	478	53814.1	1	UniProt (Q8A366)	Bacteroides thetaiotaomicron VPI-5482
2	B (B)	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose	branched		828.7	1	In PDB
3	C, J (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
4	D, E, F, G (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	4	Chemie (1PE)
5	H, K, M (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
6	I (A)	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL	non-polymer		326.4	1	Chemie (P33)
7	L (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
8	N, O, P, Q, R (A)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
9	S (A)	water	water		18.0	310	Chemie (HOH)

Sequence modifications

A: 29 - 496 (UniProt: Q8A366)

PDB	External Database	Details
Met 27	-	initiating methionine
Gly 28	-	expression tag
Leu 497	-	expression tag
Glu 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	53814.1
Branched	Number of molecules	1
	Total formula weight	828.7
Non-Polymers*	Number of molecules	16
	Total formula weight	2616.8
All*	Total formula weight	57259.6

*Water molecules are not included.