7C19

Crystal structure of a dinucleotide-binding protein (Y224A/Y246A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (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	406	44320.6	2	UniProt (Q5SLB4) Pfam (PF13416)	Thermus thermophilus HB8
2	C, H (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	D, I (A, B)	CARBON DIOXIDE	non-polymer		44.0	2	Chemie (CO2)
4	E (A)	HYPOPHOSPHITE	non-polymer		63.0	1	Chemie (PO2)
5	F (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	G, M (A, B)	[(1S,3R,3aR,6aS)-3-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate	non-polymer		629.5	2	Chemie (FGO)
7	J (B)	CARBONATE ION	non-polymer		60.0	1	Chemie (CO3)
8	K (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
9	L (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
10	N, O (A, B)	water	water		18.0	742	Chemie (HOH)

Sequence modifications

A, B: 1 - 398 (UniProt: Q5SLB4)

PDB	External Database	Details
Met -1	-	initiating methionine
Met 0	-	expression tag
Ala 224	Tyr 243	engineered mutation
Ala 246	Tyr 265	engineered mutation
His 399	-	expression tag
His 400	-	expression tag
His 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag
His 404	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	88641.2
Non-Polymers*	Number of molecules	11
	Total formula weight	1801.1
All*	Total formula weight	90442.3

*Water molecules are not included.