Effect of Occluded Ligand Migration on the Kinetics and Structural Dynamics of Homodimeric Hemoglobin.

doi:10.1021/acs.jpcb.9b11749

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Article

Effect of Occluded Ligand Migration on the Kinetics and Structural Dynamics of Homodimeric Hemoglobin.

The journal of physical chemistry. B - 27 Feb 2020

Kim Hanui, Kim Jong Goo, Muniyappan Srinivasan, Kim Tae Wu, Lee Sang Jin, Ihee Hyotcherl

Abstract excerpt

Small molecules such as molecular oxygen, nitric oxide, and carbon monoxide play important roles in life, and many proteins require the transport of small molecules to and from the bulk solvent for their function. Ligand migration within a protein molecule is expected to be closely related to the overall structural changes of the protein, but the detailed and quantitative connection remains elusive. For example,...

Topics

Crystallography, X-Ray
Hemoglobins
Kinetics
Ligands
Molecular Dynamics Simulation
Mutation

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Open in PubMed Open full text

Identifiers

PMID: 32027135
DOI: 10.1021/acs.jpcb.9b11749
PMCID: PMC7489284

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