3QXX

Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP and 8-aminocaprylic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Dethiobiotin synthetase	polymer	242	27148.1	1	UniProt (O24872) Pfam (PF13500)	Helicobacter pylori (Campylobacter pylori)	DTB synthetase, DTBS, Dethiobiotin synthase
2	B (A)	8-aminooctanoic acid	non-polymer		159.2	1	Chemie (8AC)
3	C (A)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
4	D, E (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	F (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6	G, H, I, J, K... (A)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
7	M (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
8	N (A)	water	water		18.0	341	Chemie (HOH)

Sequence modifications

A: 1 - 218 (UniProt: O24872)

PDB	External Database	Details
Met -21	-	expression tag
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Arg -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Gly 219	-	expression tag
Ser 220	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	27148.1
Non-Polymers*	Number of molecules	12
	Total formula weight	1210.5
All*	Total formula weight	28358.6

*Water molecules are not included.