6NVF

Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8

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	233	23285.7	4	UniProt (P9WPQ5) Pfam (PF13500)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	DTB synthetase,DTBS,Dethiobiotin synthase
2	E, H, J, L (A, B, C, D)	(4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid	non-polymer		276.3	4	Chemie (L5A)
3	F, I, K, N (A, B, C, D)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	G, M (B, D)	(4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid	non-polymer		276.3	2	Chemie (L5J)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	855	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	10
	Total formula weight	2042.2
All*	Total formula weight	95184.9

*Water molecules are not included.