5K0T

Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1415

Replaces:  4PPW

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 (P59078) Pfam (PF09334) Pfam (PF19303) In PDB	Brucella suis biovar 1 (strain 1330)	Methionyl-tRNA synthetase,MetRS
2	A, B, C	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea	non-polymer		347.8	3	Chemie (415)
3	A, B, C	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
4		water	water		18.0	169	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 515 (UniProt: P59078)

PDB	External Database	Details
Met -20	-	initiating methionine
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
Asp 70	Glu 70	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	181013.3
Non-Polymers*	Number of molecules	11
	Total formula weight	1540.1
All*	Total formula weight	182553.4

*Water molecules are not included.