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Structure paper

TitleStructures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
Journal, issue, pagesTo Be Published
Publish dateMar 2, 2021 (structure data deposition date)
AuthorsMohamad, N. / O'Donoghue, A. / Kantsadi, A.L. / Vakonakis, I.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.13 - 2.56 Å
Structure data

PDB-7nqr:
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z287256168
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-7nqs:
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1203107138
Method: X-RAY DIFFRACTION / Resolution: 2.56 Å

PDB-7nqu:
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z396380540
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-7nqz:
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1827898537
Method: X-RAY DIFFRACTION / Resolution: 2.319 Å

PDB-7ooe:
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z321318226
Method: X-RAY DIFFRACTION / Resolution: 2.369 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-PG6:
1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE

ChemComp-AN2:
AMP PHOSPHORAMIDATE

ChemComp-PO4:
PHOSPHATE ION

ChemComp-CL:
Unknown entry

ChemComp-SYQ:
(S)-N-(1-cyclopropylethyl)-6-methylpicolinamide

ChemComp-HOH:
WATER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-JH1:
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide

ChemComp-HR5:
~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide

ChemComp-WM7:
(3S)-N-benzylpyrrolidin-3-amine

ChemComp-JHJ:
N-(4-methoxyphenyl)-N'-pyridin-4-ylurea

Source
  • plasmodium falciparum (isolate 3d7) (eukaryote)
KeywordsCHAPERONE / Intra-erythrocytic / AMP-PNP / Ligand

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