Complement factor D in complex with the inhibitor (2S,4R)-4-fluoro- pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)- amide] 2-[(3-trifluoromethoxy-phenyl)-amide]

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 36% strand (DSSP).

Ligands and binding sites

• 8S5 · (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy) phenyl]pyrrolidine-1,2-dicarboxamide · ligand · 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, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

• 5NBA · Complement factor D in complex with the inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
• P00746 · AlphaFold monomer V2.0 prediction for complement factor D (P00746) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P00746
• Elsewhere: RCSB PDB 5NBA · PDBe 5NBA · UniProt P00746