2IT4

X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet

2IT4 の概要

• エントリーDOI: 10.2210/pdb2it4/pdb
• 分子名称: Carbonic anhydrase 1, ZINC ION, PHOSPHONOFORMIC ACID, ... (4 entities in total)
• 機能のキーワード: carbonic anhydrase, antiviral, crystal stucture, lyase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P00915
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 57066.08

構造登録者

Temperini, C.,Innocenti, A.,Guerri, A.,Scozzafava, A.,Supuran, C.T. (登録日: 2006-10-19, 公開日: 2007-09-11, 最終更新日: 2023-08-30)

主引用文献

Temperini, C.,Innocenti, A.,Guerri, A.,Scozzafava, A.,Rusconi, S.,Supuran, C.T.
Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.
Bioorg.Med.Chem.Lett., 17:2210-2215, 2007

PubMed Abstract: Foscarnet (phosphonoformate trisodium salt), an antiviral used for the treatment of HIV and herpes virus infections, also acts as an activator or inhibitor of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). Interaction of the drug with 11 CA isozymes has been investigated kinetically, and the X-ray structure of its adduct with isoform I (hCA I-foscarnet complex) has been resolved. The first CA inhibitor possessing a phosphonate zinc-binding group is thus evidenced, together with the factors governing recognition of such small molecules by a metalloenzyme active site. Foscarnet is also a clear-cut example of modulator of an enzyme activity which can act either as an activator or inhibitor of a CA isozyme.

PubMed: 17314045
DOI: 10.1016/j.bmcl.2007.01.113

実験手法

X-RAY DIFFRACTION (2 Å)