3PYK

Human Carbonic Anhydrase II as Host for Pianostool Complexes Bearing a Sulfonamide Anchor

Summary for 3PYK

• Entry DOI: 10.2210/pdb3pyk/pdb
• Descriptor: Carbonic anhydrase 2, ZINC ION, chloro{N-[di(pyridin-2-yl-kappaN)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+), ... (6 entities in total)
• Functional Keywords: 10 stranded, twisted beta-sheets, carbonate dehydratase activity, protein binding, zinc ion binding, lyase activity, metal ion binding, co2, bicarbonate, sulfonamides, metal ions, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P00918
• Total number of polymer chains: 1
• Total formula weight: 30317.36

Authors

Heinisch, T.,Schirmer, T. (deposition date: 2010-12-13, release date: 2011-07-13, Last modification date: 2023-09-13)

Primary citation

Monnard, F.W.,Heinisch, T.,Nogueira, E.S.,Schirmer, T.,Ward, T.R.
Human Carbonic Anhydrase II as a host for piano-stool complexes bearing a sulfonamide anchor.
Chem.Commun.(Camb.), 47:8238-8240, 2011

PubMed Abstract: d(6)-piano-stool complexes bearing an arylsulfonamide anchor display sub-micromolar affinity towards human Carbonic Anhydrase II (hCA II). The 1.3 Å resolution X-ray crystal structure of [(η(6)-C(6)Me(6))Ru(bispy 3)Cl](+)⊂ hCA II highlights the nature of the host-guest interactions.

PubMed: 21706094
DOI: 10.1039/c1cc10345h

Experimental method

X-RAY DIFFRACTION (1.3 Å)