4YRR

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)acetamide (Chem 1691)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Histidyl-tRNA synthetase	polymer	456	51185.6	2	UniProt (Q4DA54) Pfam (PF13393) Pfam (PF03129) In PDB	Trypanosoma cruzi (strain CL Brener)
2	A, B	HISTIDINE	non-polymer		156.2	2	Chemie (HIS)
3	A, B	N-(quinolin-3-yl)acetamide	non-polymer		186.2	2	Chemie (691)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	A, B	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
6	A, B	DIMETHYL SULFOXIDE	non-polymer		78.1	4	Chemie (DMS)
7		water	water		18.0	225	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	102371.2
Non-Polymers*	Number of molecules	15
	Total formula weight	1601.7
All*	Total formula weight	103972.9

*Water molecules are not included.