6SWX

Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Putative methionyl-tRNA synthetase	polymer	564	63984.8	1	UniProt (Q4QCD2) Pfam (PF09334) Pfam (PF19303)	Leishmania major
2	B (A)	methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate	non-polymer		348.3	1	Chemie (LWN)
3	C (A)	METHIONINE	non-polymer		149.2	1	Chemie (MET)
4	D (A)	water	water		18.0	326	Chemie (HOH)

Sequence modifications

A: 206 - 747 (UniProt: Q4QCD2)

PDB	External Database	Details
Met 184	-	initiating methionine
Ala 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag
His 190	-	expression tag
His 191	-	expression tag
Met 192	-	expression tag
Gly 193	-	expression tag
Thr 194	-	expression tag
Leu 195	-	expression tag
Glu 196	-	expression tag
Ala 197	-	expression tag
Gln 198	-	expression tag
Thr 199	-	expression tag
Gln 200	-	expression tag
Gly 201	-	expression tag
Pro 202	-	expression tag
Gly 203	-	expression tag
Ser 204	-	expression tag
Met 205	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	63984.8
Non-Polymers*	Number of molecules	2
	Total formula weight	497.5
All*	Total formula weight	64482.3

*Water molecules are not included.