Structure of PDB 7rot Chain A Binding Site BS03

Receptor Information

>7rot Chain A (length=348) Species: 36329 (Plasmodium falciparum 3D7)

KAQEESKIEDVDKILNDILSISSECIQPDELRVKLLLKRKLICYDGFEPS
GRMHIAQGLLKSIIVNKLTSNGCTFIFWIADWFAHLNNKMSGDLKKIKKV
GSYFIEVWKSCGMNMENVQFLWASEEINKKPNEYWSLVLDISRSFNINRM
KRCLKIMGRSEGEENYCSQILYPCMQCADIFFLNVDICQLGIDQRKVNML
AREYCDIKKIKKKPVILCHGMLPGLLEDENSAIFMDDSESDVNRKIKKAY
CPPNVIENNPIYAYAKSIIFPSYNEFNLVRKEKNGGDKTYYTLQELEHDY
VNGFIHPLDLKDNVAMYINKLLQPVRDHFQNNIEAKNLLNEIKKYKVT

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 7rot Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rot Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): R304 D311
• Binding residue (residue number reindexed from 1): R280 D287
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.1.1.1: tyrosine--tRNA ligase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004812 aminoacyl-tRNA ligase activity
• GO:0004831 tyrosine-tRNA ligase activity
• GO:0005524 ATP binding
• GO:0046789 host cell surface receptor binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006412 translation
• GO:0006418 tRNA aminoacylation for protein translation
• GO:0006437 tyrosyl-tRNA aminoacylation
• GO:0044650 adhesion of symbiont to host cell

Cellular Component

• GO:0005737 cytoplasm
• GO:0044164 host cell cytosol

External links

• PDB: RCSB:7rot, PDBe:7rot, PDBj:7rot
• PDBsum: 7rot
• PubMed: 35653481
• UniProt: Q8IAR7