7C6I

Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open-liganded state bound to sophorose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Sugar ABC transporter, periplasmic sugar-binding protein	polymer	422	45906.2	2	UniProt (Q53W80) Pfam (PF13416) In PDB	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
2	C, D	beta-D-glucopyranose-(1-2)-beta-D-glucopyranose	branched		342.3	2	In PDB GlyTouCan (G26080VZ)
3	A	SULFUR DIOXIDE	non-polymer		64.1	1	Chemie (SO2)
4	A	CARBON DIOXIDE	non-polymer		44.0	2	Chemie (CO2)
5	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
7	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
8	B	1,3-BUTANEDIOL	non-polymer		90.1	1	Chemie (BU2)
9		water	water		18.0	817	Chemie (HOH)

Sequence modifications

A, B: 1 - 415 (UniProt: Q53W80)

PDB	External Database	Details
Met 0	-	initiating methionine
Arg 174	Lys 192	engineered mutation
Thr 175	Asn 193	engineered mutation
Pro 176	Ser 194	engineered mutation
-	Trp 195	deletion
Arg 177	Asp 196	engineered mutation
Thr 178	Val 197	engineered mutation
His 416	-	expression tag
His 417	-	expression tag
His 418	-	expression tag
His 419	-	expression tag
His 420	-	expression tag
His 421	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91812.4
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	10
	Total formula weight	713.6
All*	Total formula weight	93210.6

*Water molecules are not included.