Hyde from T. maritima in complex with (2R,4R)-mesetda

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).

Ligands and binding sites

• CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 5 copies · chains A
• SF4 · Iron/sulfur cluster · ligand · chains A
• SAM · S-adenosylmethionine · ligand · chains A
• 9SE · (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid · ligand · chains A
• CL · Chloride ion · ion · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

• 5FES · HydE from T. maritima in complex with (2R,4R)-MeSeTDA · the same entry in another collection · chain A against A, TM-score 1.00
• Q9X0Z6 · AlphaFold monomer V2.0 prediction for [fefe] hydrogenase maturase subunit hyde (Q9X0Z6) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 Q9X0Z6
• Elsewhere: RCSB PDB 5FES · PDBe 5FES · UniProt Q9X0Z6