6NNZ

Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4

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	[(1S,2R)-2-(benzenecarbonyl)cyclopentyl]acetic acid	non-polymer		232.3	4	Chemie (KUD)
3	A, B, C, D	[(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid	non-polymer		232.3	4	Chemie (KUG)
4	A, B, C, D	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
5		water	water		18.0	266	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	16
	Total formula weight	2626.7
All*	Total formula weight	95769.4

*Water molecules are not included.