NYU Dataset

Energy Coupling and Stoichiometry of Zn2+/H+ Antiport by YiiP

Part of: Stokes Lab |
UID: 10655
* Corresponding Author
Description

Previous studies of YiiP, bacterial Zn2+/H+ antiporter, have shown a homodimeric architecture and the presence of three distinct Zn2+ binding sites. YiiP is a representative of the cation diffusion facilitator superfamily, which are responsible for homeostasis of transition metal ions. This study used cryo-electron microscopy, microscale thermophoresis, and molecular dynamics simulations to address the structural and functional roles of individual sites as well as the interplay between Zn2+ binding and protonation. The dataset includes coordinates for the atomic models and the corresponding density maps, and raw simulation data. In addition, the publication has supplementary data that contains source data for figures.

Subject of Study
Subject Domain
Keywords

Access

Restrictions
Free to All
Instructions
Coordinates for the atomic models have been deposited in the Protein Data Bank (PDB). The corresponding density maps have been deposited in the Electron Microscopy Data Bank (EMDB). The raw simulation data are stored in Open Science Framework (OSF) and all code are stored in GitHub repository.
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Zinc-loaded wild-type YiiP-Fab complex
Accession #: 8F6E

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Zinc-loaded D51A mutant
Accession #: 8F6F

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Zinc-loaded asymmetrical TMD D70A mutant
Accession #: 8F6H

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Zinc-loaded symmetrical D70A mutant
Accession #: 8F6I

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Zinc-loaded D287A mutant
Accession #: 8F6J

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Zinc-loaded H263A/D287A mutant
Accession #: 8F6K

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Zinc-loaded wild-type YiiP-Fab complex
Accession #: EMD-28881

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Zinc-loaded D51A mutant
Accession #: EMD-28882

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Zinc-loaded asymmetrical TMD D70A mutant
Accession #: EMD-28883

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Zinc-loaded symmetrical D70A mutant
Accession #: EMD-28884

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Zinc-loaded D287A mutant
Accession #: EMD-28885

Access via EMDB

Zinc-loaded H263A/D287A mutant
Accession #: EMD-28886

Access via OSF

Raw simulation data

Associated Publications
Data Type
Equipment Used
NanoTemper Monolith NT.115
Thermo Scientific Titan Krios G3i
Thermo Scientific Vitrobot
Software Used
CAVER Analyst v2.0 beta
CHARMM vc42a2
CHARMM-GUI v1.7
Chimera
Coot
CpHMD-Analysis
cryoSPARC v2.15
GraphPad Prism
GROMACS v2021.1
MAXCHELATOR
MDAnalysis
MO.Affinity Analysis v2.3
Multibind
Namdinator
Phenix
PyMOL
RELION
Grant Support
1548562/NSF
Biological and Environmental Research/Department of Energy