6APW

Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Bifunctional ligase/repressor BirA	polymer	329	38015.8	1	UniProt (A0A181HT70) In PDB	Staphylococcus aureus	Biotin--[acetyl-CoA-carboxylase] ligase,Biotin--protein ligase,Biotin-[acetyl-CoA carboxylase] synthetase
2	A	4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid	non-polymer		415.5	1	Chemie (BTV)
3		water	water		18.0	7	Chemie (HOH)

Sequence modifications

A: 1 - 323 (UniProt: A0A181HT70)

PDB	External Database	Details
Asn 272	Ile 272	conflict
His 324	-	expression tag
His 325	-	expression tag
His 326	-	expression tag
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38015.8
Non-Polymers*	Number of molecules	1
	Total formula weight	415.5
All*	Total formula weight	38431.3

*Water molecules are not included.