6KBF

Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 3

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 (W7JP72) Pfam (PF01336) Pfam (PF00152) In PDB	Plasmodium falciparum (isolate NF54)	Lysyl-tRNA synthetase
2	A, B	LYSINE	non-polymer		147.2	2	Chemie (LYS)
3	A, B	(3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one	non-polymer		289.4	2	Chemie (D4X)
4	A, B	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	B	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
6		water	water		18.0	660	Chemie (HOH)

Sequence modifications

A, B: 77 - 583 (UniProt: W7JP72)

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	10
	Total formula weight	1411.7
All*	Total formula weight	120974.0

*Water molecules are not included.