Elucidating molecular level interfacial interactions between a de novo protein and nucleated calcite with solid-state NMR

Emily G. S. Close; Andrew Lipton; Marlo Zorman; Harley Pyles; Thi Kim Hoang Trinh; Garry W. Buchko; Ying Chen; Chun-Long Chen; Christopher J. Mundy; David B. Baker; Wendy J. Shaw

doi:10.1039/d5ma01322d

January 1, 2026Materials AdvancesOpen Access

Elucidating molecular level interfacial interactions between a de novo protein and nucleated calcite with solid-state NMR

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Key Points

The aim is to understand the molecular interactions between a de novo protein and nucleated calcite using solid-state NMR analysis.
Utilized solid-state NMR to analyze protein-calcite interactions.
Examined the molecular dynamics of the Glu side chain carbonyls.
Compared experimental data with theoretical models to identify discrepancies.
Confirmed the presence of FD31–CaCO3 interactions in specified protein regions.
Observed discrepancies in molecular dynamics, specifically for Glu side chain carbonyls.
Measured a distance of approximately 5.1 Å between FD31 and CaCO3.

Implication

Research elucidates interfacial interactions in nucleated calcite, indicating important molecular dynamics.

Abstract

While FD31–CaCO 3 interactions were confirmed in regions of the protein predicted in the model, discrepancies between the model and our NMR data include µsec dynamics for Glu side chain carbonyls at the surface and a FD31–CaCO 3 distance of ∼5.1 Å.

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Cite This Study

Close et al. (2026) studied this question.

synapsesocial.com/papers/69b4fbd5b39f7826a300c47c https://doi.org/10.1039/d5ma01322d

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Elucidating molecular level interfacial interactions between a de novo protein and nucleated calcite with solid-state NMR

Key Points

Implication

Abstract

Discussion

Cite This Study

Elucidating molecular level interfacial interactions between a de novo protein and nucleated calcite with solid-state NMR

Key Points

Implication

Abstract

Discussion

Cite This Study

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