7C6G

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

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-(1-6)-beta-D-glucopyranose	branched		342.3	2	In PDB GlyTouCan (G09183JD)
3	A, B	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5	A	S-1,2-PROPANEDIOL	non-polymer		76.1	1	Chemie (PGO)
6	B	CARBON DIOXIDE	non-polymer		44.0	1	Chemie (CO2)
7	B	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
8	B	SULFITE ION	non-polymer		80.1	1	Chemie (SO3)
9		water	water		18.0	470	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	656.8
All*	Total formula weight	93153.8

*Water molecules are not included.