4QRE

Structure of Methionyl-tRNA Synthetase in complex with 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Methionyl-tRNA synthetase	polymer	547	63117.2	1	UniProt (W8U1H8) In PDB	Staphylococcus aureus
2	A	1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone	non-polymer		517.6	1	Chemie (3BG)
3	A	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
4	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5		water	water		18.0	615	Chemie (HOH)

Sequence modifications

A: 1 - 520 (UniProt: W8U1H8)

PDB	External Database	Details
Met -26	-	expression tag
Gly -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
Asp -18	-	expression tag
Tyr -17	-	expression tag
Asp -16	-	expression tag
Ile -15	-	expression tag
Pro -14	-	expression tag
Thr -13	-	expression tag
Thr -12	-	expression tag
Glu -11	-	expression tag
Asn -10	-	expression tag
Leu -9	-	expression tag
Tyr -8	-	expression tag
Phe -7	-	expression tag
Gln -6	-	expression tag
Gly -5	-	expression tag
Ala -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	63117.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1073.4
All*	Total formula weight	64190.6

*Water molecules are not included.