Identification of new, well-populated amino-acid sidechain rotamers involving hydroxyl-hydrogen atoms and sulfhydryl-hydrogen atoms
2008

New Amino Acid Rotamers with Hydrogen Atoms

Sample size: 27 publication Evidence: moderate

Author Information

Author(s): Ho Bosco K, Agard David A

Primary Institution: Department of Biochemistry, Howard Hughes Medical Institute, University of California, San Francisco

Hypothesis

Do certain sidechain torsion angles involving hydrogen atoms display rotameric preferences?

Conclusion

Knowledge of these new rotamers will improve the evaluation of hydrogen-bonding networks in protein structures.

Supporting Evidence

  • The study identified new rotamers that involve hydroxyl-hydrogen atoms of Ser, Thr, and Tyr, and the sulfhydryl-hydrogen atom of Cys.
  • The χ2 rotamers in Ser, Thr, and Cys are consistent with tetrahedral bonding.
  • The χ3 rotamers in Tyr are consistent with trigonal-planar bonding.

Takeaway

Scientists found new ways that certain parts of proteins can twist, which helps us understand how proteins interact with each other.

Methodology

The study analyzed high-resolution crystal structures to identify rotamers involving hydrogen atoms.

Limitations

The reported positions of hydrogen atoms in some high-resolution structures may be artifacts of automatic placement.

Digital Object Identifier (DOI)

10.1186/1472-6807-8-41

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