8ENI

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 (A)	Bifunctional ligase/repressor BirA	polymer	329	38014.8	1	UniProt (A0A0H3JRH8) Pfam (PF08279) Pfam (PF03099) Pfam (PF02237)	Staphylococcus aureus subsp. aureus Mu50	Biotin--[acetyl-CoA-carboxylase] ligase,Biotin--protein ligase,Biotin-[acetyl-CoA carboxylase] synthetase
2	B (A)	3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one	non-polymer		502.6	1	Chemie (WNE)
3	C (A)	water	water		18.0	54	Chemie (HOH)

Sequence modifications

A: 1 - 323 (UniProt: A0A0H3JRH8)

PDB	External Database	Details
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	38014.8
Non-Polymers*	Number of molecules	1
	Total formula weight	502.6
All*	Total formula weight	38517.4

*Water molecules are not included.