Structure of PDB 5xil Chain A Binding Site BS02

Receptor Information

>5xil Chain A (length=445) Species: 5664 (Leishmania major)

MGIAAKREENFSAWYIDVITKAEMIEYYIIRPWAYYVWKCVQRFLGGKIE
KLGVEDCYFPTSETVMYPYYAKWIRSHRDLPVRLNMWNNVIPTPFIRTRE
FLWQEGHCAWAKAEECAKEVLEILECYASVYEQLLAVPVVRGRKTEKEKF
AGGDYTTTVETFIEAVGRGCQGATSHNLGQNFGKMFDIRFQDPENNEQTL
IPWQNSWGLSTRVIGVMIMVHGDNRGMVMPPRVASTQVIIIPVGITKDTT
EEARQELLASCWRLESELCEGGVRARCDLRDNYSPGWRFNHWEVKGVPLR
VELGPRELAERSLAVAVRHSGARHSVAWDAQTPAAVAALLEDVHAQMYAR
AKETMETHRVRVTEWTEFVPTLNRKCLILAPWCGAMECENQVKKDSAEES
KAPSMGAKTLCIPFEQPEEPAEGHECICKGCTKPATTWVLFGRSY

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: 5xil Chain A Residue 1005

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xil Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): E468 H662
• Binding residue (residue number reindexed from 1): E164 H358
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.1.1.15: proline--tRNA ligase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004812 aminoacyl-tRNA ligase activity
• GO:0004827 proline-tRNA ligase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006418 tRNA aminoacylation for protein translation
• GO:0006433 prolyl-tRNA aminoacylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5xil, PDBe:5xil, PDBj:5xil
• PDBsum: 5xil
• PubMed: 28867614
• UniProt: Q4QDS0