6NL4

Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with gemcitabine

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	233	23285.7	4	UniProt (P9WPQ5) Pfam (PF13500) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	DTB synthetase,DTBS,Dethiobiotin synthase
2	A, B, C, D	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	A, B, D	GEMCITABINE	non-polymer		263.2	3	Chemie (GEO)
4		water	water		18.0	814	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	93142.7
Non-Polymers*	Number of molecules	7
	Total formula weight	1173.8
All*	Total formula weight	94316.5

*Water molecules are not included.