Crystal structure of the O2-tolerant mbh-P242C from ralstonia eutropha in its as-isolated state

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).

Ligands and binding sites

• SF4 · Iron/sulfur cluster · ligand · 2 copies · chains L, S
• NFV · Ni-Fe oxidized active center · ligand · chains L
• F4S · FE4-S3 cluster · ligand · chains L, S
• MG · Magnesium ion · metal · chains L
• CL · Chloride ion · ion · 5 copies · chains L, S
• O · Oxygen atom · ion · 2 copies · chains S, L

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• L–S · 3963 Ų buried · 67 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (oxidation).

Compared structures

• 7ODH · Crystal structure of the O2-tolerant MBH-P242C from Ralstonia eutropha in its as-isolated… · the same entry in another collection · chain L against L, TM-score 1.00
• P31891 · AlphaFold monomer V2.0 prediction for uptake hydrogenase large subunit (P31891) · a predicted model of the same protein · chain L against A, TM-score 1.00
• P31892 · AlphaFold monomer V2.0 prediction for uptake hydrogenase small subunit (P31892) · a predicted model of the same protein · chain S against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P31891
• Every structure of UniProt P31892
• Elsewhere: RCSB PDB 7ODH · PDBe 7ODH · UniProt P31891 · UniProt P31892