4AK7

Crystal structure of BpGH117_E303Q in complex with neoagarobiose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	ANHYDRO-ALPHA-L-GALACTOSIDASE	polymer	404	45952.4	2	UniProt (B5CY74) Pfam (PF04616)	BACTEROIDES PLEBEIUS
2	C, I (A, B)	NEOAGAROBIOSE	non-polymer		324.3	2	Chemie (47N)
3	D (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	E, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	G, L (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
6	H, K (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	J (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	M, N, O, P (A, B)	water	water		18.0	784	Chemie (HOH)

Sequence modifications

A, B: 22 - 402 (UniProt: B5CY74)

PDB	External Database	Details
Met -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Ser 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
Ser 9	-	expression tag
Ser 10	-	expression tag
Gly 11	-	expression tag
Leu 12	-	expression tag
Val 13	-	expression tag
Pro 14	-	expression tag
Arg 15	-	expression tag
Gly 16	-	expression tag
Ser 17	-	expression tag
His 18	-	expression tag
Met 19	-	expression tag
Ala 20	-	expression tag
Ser 21	-	expression tag
Gln 303	Glu 303	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91904.9
Non-Polymers*	Number of molecules	10
	Total formula weight	1014.9
All*	Total formula weight	92919.8

*Water molecules are not included.