6NN0

Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D

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	7	Chemie (SO4)
3	A, B, C, D	[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid	non-polymer		248.3	4	Chemie (KSJ)
4	A, B, C, D	[(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid	non-polymer		248.3	4	Chemie (KSP)
5	B, D	4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE	non-polymer		243.2	2	Chemie (CTN)
6		water	water		18.0	184	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	17
	Total formula weight	3145.1
All*	Total formula weight	96287.7

*Water molecules are not included.