2q1q

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spinqualitylabelsall models 2q1q, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies

Contents 1 Overview 2 Disease 3 About this Structure 4 Reference

Overview

Sulthiame, a clinically used antiepileptic, was investigated for its, interaction with 12 catalytically active mammalian carbonic anhydrase (CA, EC 4.2.1.1) isoforms. The drug is a potent inhibitor of CA II, VII, IX, and XII (K(I)s of 6-56nM), and a medium potency inhibitor against CA IV, VA, VB, and VI (K(I)s of 81-134nM). The high resolution crystal structure, of the hCA II-sulthiame adduct revealed a large number of favorable, interactions between the drug and the enzyme which explain its strong low, nanomolar affinity for this isoform and may also be exploited for the, design of effective inhibitors incorporating sultam moieties.

Disease

Known disease associated with this structure: Osteopetrosis, autosomal recessive 3, with renal tubular acidosis OMIM:[611492]

About this Structure

2Q1Q is a Single protein structure of sequence from [1] with ZN, HG and OSP as ligands. Active as Carbonate dehydratase, with EC number 4.2.1.1 Full crystallographic information is available from OCA.

Reference

Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: Kinetic and X-ray crystallographic studies., Temperini C, Innocenti A, Mastrolorenzo A, Scozzafava A, Supuran CT, Bioorg Med Chem Lett. 2007 Sep 1;17(17):4866-72. Epub 2007 Jun 14. PMID:17588751

Page seeded by OCA on Mon Nov 12 23:28:56 2007