7ROS

Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tyrosine--tRNA ligase	polymer	391	45614.4	2	UniProt (Q8IAR7) Pfam (PF00579) In PDB	Plasmodium falciparum (isolate 3D7)
2	A, B	{(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name)	non-polymer		575.5	2	Chemie (66I)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5		water	water		18.0	126	Chemie (HOH)

Sequence modifications

A, B: 1 - 373 (UniProt: Q8IAR7)

PDB	External Database	Details
Met -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91228.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1270.5
All*	Total formula weight	92499.4

*Water molecules are not included.