7WPN

Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor and ATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Methionine--tRNA ligase	polymer	530	61104.0	1	UniProt (Q5HII6) Pfam (PF09334) Pfam (PF08264) In PDB	Staphylococcus aureus subsp. aureus COL (Staphylococcus aureus COL)	Methionyl-tRNA synthetase,MetRS
2	A	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	A	(phenylmethyl) N-[(2R)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate	non-polymer		659.5	1	Chemie (29I)
5	A	ACETIC ACID	non-polymer		60.1	1	Chemie (ACY)
6		water	water		18.0	28	Chemie (HOH)

Sequence modifications

A: 2 - 520 (UniProt: Q5HII6)

PDB	External Database	Details
Met -9	-	initiating methionine
Gly -8	-	expression tag
Ser -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	61104.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1288.8
All*	Total formula weight	62392.8

*Water molecules are not included.