3KNE

Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole

Summary for 3KNE

• Entry DOI: 10.2210/pdb3kne/pdb
• Related: 3KIG
• Descriptor: Carbonic anhydrase 2, ZINC ION, (4-CARBOXYPHENYL)(CHLORO)MERCURY, ... (5 entities in total)
• Functional Keywords: 10 stranded; twisted beta-sheets; lyase; acetylation, metal-binding, click-chemistry, azide, alkyne, lyase
• Biological source: Homo sapiens
• Cellular location: Cytoplasm : P00918
• Total number of polymer chains: 1
• Total formula weight: 30682.73

Authors

Schulze-Wischeler, J.,Heine, A.,Klebe, G. (deposition date: 2009-11-12, release date: 2011-05-18, Last modification date: 2024-10-16)

Primary citation

Schulze Wischeler, J.,Sun, D.,Sandner, N.U.,Linne, U.,Heine, A.,Koert, U.,Klebe, G.
Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17:5842-5851, 2011

PubMed Abstract: The carbonic anhydrase II mutant His64Cys was prepared and applied to tethered alkyne/azide cycloaddition reactions. The azide component could be tethered to the enzyme surface through a disulfide bridge, while the alkyne component was reversibly coordinated through a sulfonamide anchor to the zinc ion in the original catalytic center of the enzyme. The incipient orientation of the reactants in the binding site and of the formed triazole product were characterized by crystallography. The reaction progression could be monitored by HPLC-MS analysis.

PubMed: 21506176
DOI: 10.1002/chem.201002437

Experimental method

X-RAY DIFFRACTION (1.35 Å)