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Structure paper

TitleHow Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Journal, issue, pagesMolecules, Vol. 29, Year 2024
Publish dateDec 28, 2023 (structure data deposition date)
AuthorsPorfetye, A.T. / Stege, P. / Rebollido-Rios, R. / Hoffmann, D. / Schrader, T. / Vetter, I.R.
External linksMolecules / PubMed:38675584
MethodsX-ray diffraction
Resolution1.2 - 2.6 Å
Structure data

PDB-8rkq:
Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with the molecular tweezer CLR01
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-8rkr:
Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

Chemicals

ChemComp-9SZ:
(1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene

ChemComp-HOH:
WATER

PDB-1h1o:
Acidithiobacillus ferrooxidans cytochrome c4 structure supports a complex-induced tuning of electron transfer

ChemComp-BEZ:
BENZOIC ACID

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / ALDEHYDE DEHYDROGENASE / ALDH4A1 / ROSSMANN FOLD / NAD / MOLECULAR TWEEZER / SUPRAMOLECULAR LIGANDS / PROTEIN-PROTEIN INTERACTIONS

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