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TitleDesign of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 145, Page 14307-14315, Year 2023
Publish dateDec 29, 2022 (structure data deposition date)
AuthorsKalvet, I. / Ortmayer, M. / Zhao, J. / Crawshaw, R. / Ennist, N.M. / Levy, C. / Roy, A. / Green, A.P. / Baker, D.
External linksJ. Am. Chem. Soc. / PubMed:37341421
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-8c3w:
Crystal structure of a computationally designed heme binding protein, dnHEM1
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-IMD:
IMIDAZOLE

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-PO4:
PHOSPHATE ION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • synthetic construct (others)
KeywordsBIOSYNTHETIC PROTEIN / de novo protein / computational design / heme binding protein

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