7C6N

Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotetraose (Form II)

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	422	45906.2	2	UniProt (Q53W80) Pfam (PF13416)	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
2	C, D (C, D)	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		666.6	2	In PDB BIRD (PRD_900011) GlyTouCan (G00025MO)		beta-cellotetraose
3	E, F, J (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	G (A)	SULFITE ION	non-polymer		80.1	1	Chemie (SO3)
5	H, K (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	I, L (A, B)	propane-1,1,1,3-tetrol	non-polymer		108.1	2	Chemie (FJO)
7	M, N (A, B)	water	water		18.0	648	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	1333.2
Non-Polymers*	Number of molecules	8
	Total formula weight	526.7
All*	Total formula weight	93672.3

*Water molecules are not included.