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Structure paper

TitleA defined structural unit enables de novo design of small-molecule-binding proteins.
Journal, issue, pagesScience, Vol. 369, Page 1227-1233, Year 2020
Publish dateMar 18, 2020 (structure data deposition date)
AuthorsPolizzi, N.F. / DeGrado, W.F.
External linksScience / PubMed:32883865
MethodsX-ray diffraction
Resolution1.296 - 1.6 Å
Structure data

PDB-6w6x:
Crystal Structure of ABLE Apo-protein
Method: X-RAY DIFFRACTION / Resolution: 1.297 Å

PDB-6w70:
Crystal Structure of apixaban-bound ABLE
Method: X-RAY DIFFRACTION / Resolution: 1.296 Å

PDB-6x8n:
Crystal Structure of H49A ABLE mutant
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-GG2:
1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE / medication, anticoagulant*YM

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / 4-helix bundle / de novo / ligand-binding

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