3KIG

Mutant carbonic anhydrase II in complex with an azide and an alkyne

Summary for 3KIG

Entry DOI	10.2210/pdb3kig/pdb
Related	1Z9Y
Descriptor	Carbonic anhydrase 2, ZINC ION, 2-azido-N-(2-sulfanylethyl)ethanamide, ... (5 entities in total)
Functional Keywords	10 stranded, twisted beta-sheets, lyase, disease mutation, metal-binding
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	30338.60
Authors	Schulze-Wischeler, J.,Niehage, N.U.,Heine, A.,Klebe, G. (deposition date: 2009-11-02, release date: 2010-11-17, Last modification date: 2024-02-21)
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 Cited by 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 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.39 Å)

Structure validation