5OHS

A GH31 family sulfoquinovosidase mutant D455N in complex with pNPSQ

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, E... (A, B, C, D, E...)	Alpha-glucosidase yihQ	polymer	672	75231.4	8	UniProt (A0A083ZKV2) Pfam (PF01055) Pfam (PF21365) UniProt (by SIFTS) (A9CEZ0)	Rhizobium radiobacter (Agrobacterium tumefaciens)
2	AA, DB, HA, I, J... (D, H, E, A, F...)	THIOCYANATE ION	non-polymer		58.1	8	Chemie (SCN)
3	BA, CA, IA, K, L... (D, E, A, F, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	9	Chemie (MPD)
4	EB, JA, N, QA, S... (H, E, A, F, B...)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
5	AB, BB, DA, EA, FA... (G, D, H, E, A...)	1,2-ETHANEDIOL	non-polymer		62.1	18	Chemie (EDO)
6	CB, GA, GB, LA, Q... (G, D, H, E, A...)	4-nitrophenyl alpha-D-6-sulfoquinovoside	non-polymer		365.3	8	Chemie (NSQ)
7	W, Z (C, D)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
8	HB, IB, JB, KB, LB... (A, B, C, D, E...)	water	water		18.0	2168	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 664 (UniProt: A0A083ZKV2)

PDB	External Database	Details
Ala 370	Glu 370	engineered mutation
Ala 371	Glu 371	engineered mutation
Asn 455	Asp 455	engineered mutation
Leu 665	-	expression tag
Glu 666	-	expression tag
His 667	-	expression tag
His 668	-	expression tag
His 669	-	expression tag
His 670	-	expression tag
His 671	-	expression tag
His 672	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	601851.5
Non-Polymers*	Number of molecules	51
	Total formula weight	5858.9
All*	Total formula weight	607710.4

*Water molecules are not included.