7WPI

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

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	Methionyl-tRNA synthetase,MetRS
2	A	2-(4-bromanyl-3-oxidanyl-phenyl)-1-[(1R)-2-[2-(2-tert-butylphenoxy)ethanoylamino]-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzimidazole-5-carboxamide	non-polymer		715.6	1	Chemie (1V7)
3	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5		water	water		18.0	68	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	898.8
All*	Total formula weight	62002.8

*Water molecules are not included.