The crystal strucuture of ppazor in complex with reactive black 5 (RB5)

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).

Ligands and binding sites

• FD5 · [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate · ligand · chains A
• 12P · Dodecaethylene glycol · additive · 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.

Compared structures

• 4C14 · The crystal strucuture of PpAzoR in complex with reactive black 5 (RB5) · the same entry in another collection · chain A against A, TM-score 1.00
• Q88IY3 · AlphaFold monomer V2.0 prediction for FMN-dependent NADH:QUINONE oxidoreductase 1 (Q88IY3) · 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 Q88IY3
• Elsewhere: RCSB PDB 4C14 · PDBe 4C14 · UniProt Q88IY3