6NU6

Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5

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, K, N (A, B, C, D)	4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid	non-polymer		276.3	4	Chemie (L1V)
3	F, I, L, O (A, B, C, D)	4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid	non-polymer		276.3	4	Chemie (L1Y)
4	G, J, M, P (A, B, C, D)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	Q, R, S, T (A, B, C, D)	water	water		18.0	176	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	12
	Total formula weight	2594.5
All*	Total formula weight	95737.2

*Water molecules are not included.