3MLE

Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Dethiobiotin synthetase	polymer	242	27148.1	6	UniProt (O24872) Pfam (PF13500)	Helicobacter pylori (Campylobacter pylori)	Dethiobiotin synthase, DTB synthetase, DTBS
2	CA, G, GA, M, P... (E, A, F, B, C...)	PHOSPHATE ION	non-polymer		95.0	8	Chemie (PO4)
3	DA, H, HA, N, T... (E, A, F, B, C...)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
4	I, IA, O (A, F, B)	NITRATE ION	non-polymer		62.0	3	Chemie (NO3)
5	J, JA, U (A, F, C)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6	AA, FA, K, KA, Q... (D, E, A, F, B...)	8-aminooctanoic acid	non-polymer		159.2	6	Chemie (8AC)
7	BA, EA, L, LA, R... (D, E, A, F, B...)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	6	Chemie (ADP)
8	MA, NA, OA, PA, QA... (A, B, C, D, E...)	water	water		18.0	96	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 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	6
	Total formula weight	162888.5
Non-Polymers*	Number of molecules	32
	Total formula weight	4716.5
All*	Total formula weight	167605.1

*Water molecules are not included.