6CVV

Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - promiscuous binding mode with disordered nucleoside

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 (A, B, C, D)	ATP-dependent dethiobiotin synthetase BioD	polymer	235	23473.9	4	UniProt (P9WPQ5) Pfam (PF13500)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	DTB synthetase,DTBS,Dethiobiotin synthase
2	E, G, I, K (A, B, C, D)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	4	Chemie (ATP)
3	F, H, J, L (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	M, N, O, P (A, B, C, D)	water	water		18.0	244	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 226 (UniProt: P9WPQ5)

PDB	External Database	Details
Met -8	-	initiating methionine
Gly -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	93895.7
Non-Polymers*	Number of molecules	8
	Total formula weight	2125.9
All*	Total formula weight	96021.6

*Water molecules are not included.