Iron and alpha-ketoglutarate-dependent endoperoxidase nvfi W199F variant

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 35% strand (DSSP).

Ligands and binding sites

• OGA · N-oxalylglycine · ligand · 2 copies · chains A, B
• H3X · Methyl (3'~{A}~{R},4'~{S},5'~{S},5~{A}~{S},6~{S},7~{S}, 9~{A}~{R})-1,1,3'~{A},4',5~{A},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate · ligand · chains A
• FE · Fe (III) ion · metal · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 879 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 7EMZ · iron and alpha-ketoglutarate-dependent endoperoxidase NvfI W199F variant · the same entry in another collection · 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
• Elsewhere: RCSB PDB 7EMZ · PDBe 7EMZ