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Structure paper

TitleSampling and energy evaluation challenges in ligand binding protein design.
Journal, issue, pagesProtein Sci., Vol. 26, Page 2426-2437, Year 2017
Publish dateFeb 25, 2016 (structure data deposition date)
AuthorsDou, J. / Doyle, L. / Jr Greisen, P. / Schena, A. / Park, H. / Johnsson, K. / Stoddard, B.L. / Baker, D.
External linksProtein Sci. / PubMed:28980354
MethodsX-ray diffraction
Resolution2.005 - 2.501 Å
Structure data

PDB-5ier:
Structure of a computationally designed 17-OHP binder
Method: X-RAY DIFFRACTION / Resolution: 2.005 Å

PDB-5if6:
Structure of a computationally designed 17-OHP binder
Method: X-RAY DIFFRACTION / Resolution: 2.501 Å

Chemicals

ChemComp-3QZ:
(9beta)-17-hydroxypregn-4-ene-3,20-dione / hormone*YM

ChemComp-SO4:
SULFATE ION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / Rossetta / ligand binder / computational / Structural Genomics

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