4XTV

Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Bifunctional ligase/repressor BirA	polymer	270	28534.4	2	UniProt (A0A045H8W3) Pfam (PF03099) Pfam (PF02237) UniProt (by SIFTS) (I6YFP0) In PDB	Mycobacterium tuberculosis	Biotin--acetyl-CoA-carboxylase ligase,Biotin-protein ligase,BirA protein
2	A, B	N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide	non-polymer		537.7	2	Chemie (44K)
3		water	water		18.0	637	Chemie (HOH)

Sequence modifications

A, B: 2 - 266 (UniProt: A0A045H8W3)

PDB	External Database	Details
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Val 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57068.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1075.3
All*	Total formula weight	58144.2

*Water molecules are not included.