4WI1

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with TCMDC-124506

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	1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea	non-polymer		396.3	2	Chemie (3O6)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	14	Chemie (EDO)
4	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	A, B	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
6	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7		water	water		18.0	765	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	20
	Total formula weight	1859.5
All*	Total formula weight	119832.5

*Water molecules are not included.