4Q15

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Halofuginone and AMPPNP in space group P212121 at 2.35 A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Proline--tRNA ligase	polymer	506	58986.5	2	UniProt (Q8I5R7) Pfam (PF00587) Pfam (PF03129) Pfam (PF09180) In PDB	Plasmodium falciparum	Prolyl-tRNA synthetase, ProRS
2	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A, B	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
4	A, B	7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one	non-polymer		414.7	2	Chemie (HFG)
5	B	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6		water	water		18.0	273	Chemie (HOH)

Sequence modifications

A, B: 249 - 746 (UniProt: Q8I5R7)

PDB	External Database	Details
Met 241	-	expression tag
Ala 242	-	expression tag
His 243	-	expression tag
His 244	-	expression tag
His 245	-	expression tag
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	117973.0
Non-Polymers*	Number of molecules	9
	Total formula weight	2076.6
All*	Total formula weight	120049.6

*Water molecules are not included.