Carbonic anhydrase IX-mimic complexed with 3-((2-((naphthalen-2- YLMETHYL)(4-SULFAMOYLPHENETHYL)AMINO)-2-OXOETHYL)(PHENETHYL)AMINO) propanoic acid

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 30% strand (DSSP).

Ligands and binding sites

• U6V · N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl) ethyl]glycinamide · ligand · chains A
• ZN · Zinc ion · metal · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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, 1 with a druggability of 0.5 or more.

Compared structures

• 7SV1 · Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphene… · the same entry in another collection · chain A against A, TM-score 1.00
• P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · 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 P00918
• Elsewhere: RCSB PDB 7SV1 · PDBe 7SV1 · UniProt P00918