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PubMed Publications| Keyword search (4,163 papers available) |  |
"Maria S Shadrina" Authored Publications:
| Title | Authors | PubMed ID | |
|---|---|---|---|
| 1 | Quaternary-Linked Changes in Structure and Dynamics That Modulate O2 Migration within Hemoglobin's Gas Diffusion Tunnels | Maria S Shadrina | 26226318 CERMM |
| 2 | O2 and Water Migration Pathways between the Solvent and Heme Pockets of Hemoglobin with Open and Closed Conformations of the Distal HisE7 | Maria S Shadrina | 26226401 CERMM |
| 3 | Benchmarking Rapid TLES Simulations of Gas Diffusion in Proteins: Mapping O2 Migration and Escape in Myoglobin as a Case Study | Maria S Shadrina | 26938707 CHEMBIOCHEM |
| Title: | O2 and Water Migration Pathways between the Solvent and Heme Pockets of Hemoglobin with Open and Closed Conformations of the Distal HisE7 | ||||
| Authors: | Maria S Shadrina | ||||
| Link: | https://pubmed.ncbi.nlm.nih.gov/26226401/ | ||||
| DOI: | 10.1021/acs.biochem.5b00369 | ||||
| Publication: | Biochemistry | ||||
| Keywords: | |||||
| PMID: | 26226401 | Category: | Date Added: | 2015-07-31 | |
| Dept Affiliation: |
CERMM
1 Department of Chemistry and Biochemistry, Centre for Research in Molecular Modeling and PROTEO, Concordia University , Montreal, Quebec H4B 1R6, Canada. |
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Description: |
Hemoglobin transports O2 by binding the gas at its four hemes. Hydrogen bonding between the distal histidine (HisE7) and heme-bound O2 significantly increases the affinity of human hemoglobin (HbA) for this ligand. HisE7 is also proposed to regulate the release of O2 to the solvent via a transient E7 channel. To reveal the O2 escape routes controlled by HisE7 and to evaluate its role in gating heme access, we compare simulations of O2 diffusion from the distal heme pockets of the T and R states... |
