6CVE

Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid

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	ATP-dependent dethiobiotin synthetase BioD	polymer	235	23473.9	4	UniProt (P9WPQ5) Pfam (PF13500) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	DTB synthetase,DTBS,Dethiobiotin synthase
2	A, C, D	CYTIDINE-5'-TRIPHOSPHATE	non-polymer		483.2	3	Chemie (CTP)
3	A, C, D	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	B, C	7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID	non-polymer		232.3	3	Chemie (DSD)
5	B	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
6		water	water		18.0	761	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	10
	Total formula weight	2408.3
All*	Total formula weight	96304.0

*Water molecules are not included.