7C70

Crystal structure of beta-glycosides-binding protein (W67A) 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 (A, B)	Sugar ABC transporter, periplasmic sugar-binding protein	polymer	423	45908.2	2	UniProt (Q53W80) Pfam (PF13416)	Thermus thermophilus HB8
2	C, D (C, D)	beta-D-glucopyranose-(1-6)-beta-D-glucopyranose	branched		342.3	2	In PDB GlyTouCan (G09183JD)
3	E, M, N (A, B)	SULFUR DIOXIDE	non-polymer		64.1	3	Chemie (SO2)
4	F (A)	SULFITE ION	non-polymer		80.1	1	Chemie (SO3)
5	G, O (A, B)	CARBON DIOXIDE	non-polymer		44.0	2	Chemie (CO2)
6	H, T (A, B)	S-1,2-PROPANEDIOL	non-polymer		76.1	2	Chemie (PGO)
7	I, J, K, U (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
8	L, V (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	P, Q (B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
10	R (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
11	S (B)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
12	W, X (A, B)	water	water		18.0	832	Chemie (HOH)

Sequence modifications

A, B: 1 - 416 (UniProt: Q53W80)

PDB	External Database	Details
Met 0	-	initiating methionine
Ala 67	Trp 85	engineered mutation
His 417	-	expression tag
His 418	-	expression tag
His 419	-	expression tag
His 420	-	expression tag
His 421	-	expression tag
His 422	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91816.3
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	18
	Total formula weight	1329.2
All*	Total formula weight	93830.1

*Water molecules are not included.