4YRF

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromopyridin-2(1H)-one (Chem 148)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Histidyl-tRNA synthetase, putative	polymer	456	51185.6	1	UniProt (Q4DA54) Pfam (PF13393) Pfam (PF03129) In PDB	Trypanosoma cruzi (strain CL Brener)
2	A	HISTIDINE	non-polymer		156.2	1	Chemie (HIS)
3	A	5-bromopyridin-2(1H)-one	non-polymer		174.0	1	Chemie (4HS)
4	A	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
6	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7		water	water		18.0	152	Chemie (HOH)

Sequence modifications

A: 45 - 478 (UniProt: Q4DA54)

PDB	External Database	Details
Met -21	-	initiating methionine
Ala -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
Met -13	-	expression tag
Gly -12	-	expression tag
Thr -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Ala -8	-	expression tag
Gln -7	-	expression tag
Thr -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	51185.6
Non-Polymers*	Number of molecules	8
	Total formula weight	836.7
All*	Total formula weight	52022.3

*Water molecules are not included.