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Structure paper

TitleThe active site of aspartyl-tRNA synthetase: Structural studies of the adenylation reaction and flexibility of residues.
Journal, issue, pagesTo Be Published
Publish dateAug 19, 2025 (structure data deposition date)
AuthorsSharma, V.K. / Manickam, Y. / Sharma, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.01 - 2.68 Å
Structure data

PDB-9we8:
Plasmodium vivax aspartyl-tRNA synthetase (PvDRS) complexed with the non-hydrolysable ATP analogue AMP-PCP (ACP)
Method: X-RAY DIFFRACTION / Resolution: 2.395 Å

PDB-9we9:
Plasmodium vivax aspartyl-tRNA synthetase in complex with L-Asp, Lanthanide, MOPSO and Butanetriol
Method: X-RAY DIFFRACTION / Resolution: 2.402 Å

PDB-9wea:
Plasmodium vivax aspartyl-tRNA synthetase in complex with AMP, PO4, MOPS and Alcohols
Method: X-RAY DIFFRACTION / Resolution: 2.301 Å

PDB-9web:
Plasmodium vivax aspartyl-tRNA synthetase in complex with AMP, Pyrophosphate, MOPSO and Hexanetriol
Method: X-RAY DIFFRACTION / Resolution: 2.541 Å

PDB-9wec:
Plasmodium vivax aspartyl-tRNA synthetase in complex with AMP, Divalent metals, MOPSO and Butanetriol
Method: X-RAY DIFFRACTION / Resolution: 2.391 Å

PDB-9wed:
Plasmodium vivax aspartyl-tRNA synthetase in complex with AMP, Asp-AMP, Partially occupied ASP, Mg ion and Butanetriol
Method: X-RAY DIFFRACTION / Resolution: 2.158 Å

PDB-9wee:
Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMP and SO4
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-9wef:
Plasmodium vivax aspartyl-tRNA synthetase in complex with AMS and SO4
Method: X-RAY DIFFRACTION / Resolution: 2.402 Å

PDB-9weg:
Plasmodium vivax aspartyl-tRNA synthetase in complex with AMS, Mg ion, Iodides and Pentaethylene glycol
Method: X-RAY DIFFRACTION / Resolution: 2.228 Å

PDB-9weh:
Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMS, SO4, MOPSO and Butanetriol
Method: X-RAY DIFFRACTION / Resolution: 2.094 Å

PDB-9wei:
Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMS, Divalent metals, MOPSO and Pentanediol
Method: X-RAY DIFFRACTION / Resolution: 2.53 Å

PDB-9wej:
Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMS, Ytterbium, MOPSO and Hexanetriol
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

PDB-9wek:
Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMS in the absence of Mg ions
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-9wel:
Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMS, Mg ion, Ethylene glycols and Unit cell contraction due to data collected outside the cryo loop
Method: X-RAY DIFFRACTION / Resolution: 2.201 Å

PDB-9wem:
Plasmodium vivax aspartyl-tRNA synthetase in combination with Asp-AMS, Mg ion, MOPS and PGE
Method: X-RAY DIFFRACTION / Resolution: 2.128 Å

Chemicals

ChemComp-ACP:
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / AMP-PCP, energy-carrying molecule analogue*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HEZ:
HEXANE-1,6-DIOL

ChemComp-HOH:
WATER

ChemComp-ASP:
ASPARTIC ACID

ChemComp-YB:
YTTERBIUM (III) ION

ChemComp-CL:
Unknown entry

ChemComp-0V1:
(2~{S})-butane-1,2,4-triol

ChemComp-6BX:
(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-PO4:
PHOSPHATE ION

ChemComp-MPO:
3[N-MORPHOLINO]PROPANE SULFONIC ACID / pH buffer*YM

ChemComp-PGO:
S-1,2-PROPANEDIOL

ChemComp-PDO:
1,3-PROPANDIOL

ChemComp-6BY:
(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

ChemComp-PPV:
PYROPHOSPHATE

ChemComp-1JW:
(2S)-hexane-1,2,6-triol

ChemComp-ZN:
Unknown entry

ChemComp-MN:
Unknown entry

ChemComp-CO:
Unknown entry

ChemComp-AMO:
ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-LMS:
[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-IOD:
IODIDE ION

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-DSZ:
5'-O-(L-alpha-aspartylsulfamoyl)adenosine

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-9JE:
pentane-1,5-diol

ChemComp-BME:
BETA-MERCAPTOETHANOL

Source
  • plasmodium vivax (malaria parasite P. vivax)
KeywordsLIGASE / AMINOACYLATION / AMINOACYL-TRNA SYNTHETASE / TRNA-BINDING / ATP-BINDING / MALARIA / INHIBITOR

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