7C0T

Crystal structure of a dinucleotide-binding protein (N81A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine

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	406	44461.8	2	UniProt (Q5SLB4) Pfam (PF13416) In PDB	Thermus thermophilus HB8
2	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7	A	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
8	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)
9	B	CARBON DIOXIDE	non-polymer		44.0	1	Chemie (CO2)
10	B	1,3-PROPANDIOL	non-polymer		76.1	1	Chemie (PDO)
11		water	water		18.0	845	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -1	-	initiating methionine
Met 0	-	expression tag
Ala 81	Asn 100	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	88923.5
Non-Polymers*	Number of molecules	15
	Total formula weight	2354.7
All*	Total formula weight	91278.2

*Water molecules are not included.