5VMA

Structure of B. pumilus GH48 in complex with a cellobio-derived isofagomine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Glycoside hydrolase	polymer	709	79934.6	1	UniProt (A8FDC4)	Bacillus pumilus
2	B, C (A)	(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside	non-polymer		471.5	2	Chemie (G2I)
3	D (A)	(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside	non-polymer		309.3	1	Chemie (9MR)
4	E, F (A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	G (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	H, I, J, K, L... (A)	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
7	T (A)	MALONATE ION	non-polymer		102.0	1	Chemie (MLI)
8	U (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
9	V (A)	water	water		18.0	579	Chemie (HOH)

Sequence modifications

A: 1 - 701 (UniProt: A8FDC4)

PDB	External Database	Details
Leu 702	-	expression tag
Glu 703	-	expression tag
His 704	-	expression tag
His 705	-	expression tag
His 706	-	expression tag
His 707	-	expression tag
His 708	-	expression tag
His 709	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	79934.6
Non-Polymers*	Number of molecules	20
	Total formula weight	2261.3
All*	Total formula weight	82195.9

*Water molecules are not included.