4PY2

Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor 1-{3-[(3,5-DICHLOROBENZYL)AMINO]PROPYL}-3-THIOPHEN-3-YLUREA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	Methionine--tRNA ligase	polymer	536	60337.8	3	UniProt (Q2YQ76) Pfam (PF09334) Pfam (PF19303) In PDB	Brucella melitensis	Methionyl-tRNA synthetase
2	A, B, C	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea	non-polymer		358.3	3	Chemie (43E)
3	A, B, C	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
4		water	water		18.0	548	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 515 (UniProt: Q2YQ76)

PDB	External Database	Details
Met -20	-	expression tag
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	181013.3
Non-Polymers*	Number of molecules	10
	Total formula weight	1509.3
All*	Total formula weight	182522.6

*Water molecules are not included.