Human carbonic anhydrase II with bound IrCp* complex (cofactor 9) to generate an artificial transfer hydrogenase (ATHase)

Structure

x-ray diffraction · resolution 1.2 · 1 distinct chain · 15% helix, 30% strand (DSSP).

Ligands and binding sites

• JR8 · 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$L^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$L^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2, 6}]hexane]-8-yl)propyl]benzenesulfonamide · ligand · chains A
• ZN · Zinc ion · metal · chains A
• IR · Iridium ion · metal · chains A
• SO4 · Sulfate ion · 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.

Compared structures

• 6QFW · Human carbonic anhydrase II with bound ircp* complex (cofactor 9) to generate an… · 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 6QFW · PDBe 6QFW · UniProt P00918