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Structure paper

TitleExploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Journal, issue, pagesChemmedchem, Vol. 18, Page e202300272-e202300272, Year 2023
Publish dateDec 19, 2022 (structure data deposition date)
AuthorsLandgraf, A.D. / Yeh, I.J. / Ghozayel, M.K. / Bum-Erdene, K. / Gonzalez-Gutierrez, G. / Meroueh, S.O.
External linksChemmedchem / PubMed:37269475
MethodsX-ray diffraction
Resolution1.48 - 1.54 Å
Structure data

PDB-8fjh:
Crystal structure of RalA in a covalent complex with SOF-531
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-8fji:
Crystal structure of RalA in a covalent complex with SOF-367
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

Chemicals

ChemComp-GDP:
GUANOSINE-5'-DIPHOSPHATE / GDP, energy-carrying molecule*YM

ChemComp-Y0P:
8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-Y0M:
8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / RalA / GTPase / inhibitor / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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