4JSS

Human carbonic anhydrase II H94D bound to a bidentate inhibitor

Summary for 4JSS

• Entry DOI: 10.2210/pdb4jss/pdb
• Related: 4JS6 4JSA 4JSW 4JSZ
• Descriptor: Carbonic anhydrase 2, ZINC ION, MERCURIBENZOIC ACID, ... (6 entities in total)
• Functional Keywords: 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: 29877.35

Authors

Martin, D.P.,Hann, Z.S.,Cohen, S.M. (deposition date: 2013-03-22, release date: 2013-06-19, Last modification date: 2024-02-28)

Primary citation

Martin, D.P.,Hann, Z.S.,Cohen, S.M.
Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52:12207-12215, 2013

PubMed Abstract: An ever-increasing number of metalloproteins are being discovered that play essential roles in physiological processes. Inhibitors of these proteins have significant potential for the treatment of human disease, but clinical success of these compounds has been limited. Herein, zinc(II)-dependent metalloprotein inhibitors in clinical use are reviewed, and the potential for using novel metal-binding groups (MBGs) in the design of these inhibitors is discussed. By using human carbonic anhydrase II as a model system, the nuances of MBG-metal interactions in the context of a protein environment can be probed. Understanding how metal coordination influences inhibitor binding may help in the design of new therapeutics targeting metalloproteins.

PubMed: 23706138
DOI: 10.1021/ic400295f

Experimental method

X-RAY DIFFRACTION (1.5 Å)