2PYA: Ultra-high resolution structure of P. abyssi rubredoxin W4L/R5S/A44S

The effect of D-H...S(gamma)-Fe hydrogen bonding on the reduction potential of rubredoxin was investigated by the introduction of an O-H...S(gamma)-Fe hydrogen bond on the surface of Pyrococcus abyssi rubredoxin. The formation of a weak hydrogen bond between Ser44-O(gamma) and Cys42-S(gamma) in mutant W4L/R5S/A44S increased the reduction potential by 56 mV. When side effects of the mutation were taken into account, the contribution of the additional cluster hydrogen bond to the reduction potential was estimated to be +65 mV. The structural analysis was based on ultrahigh-resolution structures of oxidized P. abyssi rubredoxin W4L/R5S and W4L/R5S/A44S refined to 0.69 and 0.86 A, respectively.
PDB ID: 2PYADownload
MMDB ID: 64103
PDB Deposition Date: 2007/5/16
Updated in MMDB: 2018/07
Experimental Method:
x-ray diffraction
Resolution: 0.86  Å
Source Organism:
Similar Structures:
Biological Unit for 2PYA: monomeric; determined by author
Molecular Components in 2PYA
Label Count Molecule
Protein (1 molecule)
Rubredoxin(Gene symbol: PAB_RS04765)
Molecule annotation
Chemicals (3 molecules)
* Click molecule labels to explore molecular sequence information.

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