Spin labeled ipns S55C variant in complex with fe, acv and no

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 22% strand (DSSP).

Ligands and binding sites

• ACV · L-D-(A-aminoadipoyl)-L-cysteinyl-D-valine · ligand · chains A
• 81T · ~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide · ligand · chains A
• FE · Fe (III) ion · metal · chains A
• SO4 · Sulfate ion · ion · 4 copies · chains A
• NO · Nitric oxide · ion · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 7POY · Spin labeled IPNS S55C variant in complex with Fe, ACV and NO · the same entry in another collection · chain A against A, TM-score 1.00
• P05326 · AlphaFold monomer V2.0 prediction for isopenicillin N synthase (P05326) · a predicted model of the same protein · chain A 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 P05326
• Elsewhere: RCSB PDB 7POY · PDBe 7POY · UniProt P05326