8K9W

Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Lysine--tRNA ligase	polymer	516	59781.1	2	UniProt (A0A024X378) Pfam (PF01336) Pfam (PF00152) In PDB	Plasmodium falciparum (isolate Camp / Malaysia)	Lysyl-tRNA synthetase
2	A, B	~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine	non-polymer		399.5	2	Chemie (JTR)
3	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
4		water	water		18.0	136	Chemie (HOH)

Sequence modifications

A, B: 77 - 583 (UniProt: A0A024X378)

PDB	External Database	Details
Met 76	-	initiating methionine
Gly 584	-	expression tag
Gly 585	-	expression tag
His 586	-	expression tag
His 587	-	expression tag
His 588	-	expression tag
His 589	-	expression tag
His 590	-	expression tag
His 591	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119562.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1189.4
All*	Total formula weight	120751.7

*Water molecules are not included.