9YT3

Crystal structure of Cysteinyl-tRNA synthetase (CysRS) from Plasmodium falciparum in complex with 5'-Sulfamoyladenosine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cysteine--tRNA ligase	polymer	466	54533.2	2	UniProt (Q8IJP3) Pfam (PF01406)	Plasmodium falciparum 3D7	Cysteinyl-tRNA synthetase
2	C, D, Q (A, B)	[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE	non-polymer		346.3	3	Chemie (LMS)
3	E, S (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, G, T, U (A, B)	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
5	AA, BA, CA, DA, EA... (B, A)	CHLORIDE ION	non-polymer		35.5	24	Chemie (CL)
6	R, W (B)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
7	LA, MA (A, B)	water	water		18.0	17	Chemie (HOH)

Sequence modifications

A, B: 14 - 458 (UniProt: Q8IJP3)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Met 1	-	expression tag
Gly 2	-	expression tag
Thr 3	-	expression tag
Leu 4	-	expression tag
Glu 5	-	expression tag
Ala 6	-	expression tag
Gln 7	-	expression tag
Thr 8	-	expression tag
Gln 9	-	expression tag
Gly 10	-	expression tag
Pro 11	-	expression tag
Gly 12	-	expression tag
Ser 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109066.4
Non-Polymers*	Number of molecules	35
	Total formula weight	2316.7
All*	Total formula weight	111383.1

*Water molecules are not included.