Zinc in PDB 3kig: Mutant Carbonic Anhydrase II in Complex with An Azide and An Alkyne

All present enzymatic activity of Mutant Carbonic Anhydrase II in Complex with An Azide and An Alkyne:
4.2.1.1;

The structure of Mutant Carbonic Anhydrase II in Complex with An Azide and An Alkyne, PDB code: 3kig was solved by J.Schulze-Wischeler, N.U.Niehage, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.400, 41.400, 72.300, 90.00, 104.10, 90.00
R / Rfree (%)	13.5 / 19.3

The binding sites of Zinc atom in the Mutant Carbonic Anhydrase II in Complex with An Azide and An Alkyne (pdb code 3kig). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Mutant Carbonic Anhydrase II in Complex with An Azide and An Alkyne, PDB code: 3kig:

Zinc binding site 1 out of 1 in the Mutant Carbonic Anhydrase II in Complex with An Azide and An Alkyne


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Mutant Carbonic Anhydrase II in Complex with An Azide and An Alkyne within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:31.4 occ:1.00 N1 A:DA4504 1.8 22.7 1.0 ND1 A:HIS119 2.0 10.0 1.0 NE2 A:HIS94 2.0 12.8 1.0 NE2 A:HIS96 2.1 10.5 1.0 CE1 A:HIS119 2.9 11.0 1.0 S2 A:DA4504 3.0 23.3 1.0 O4 A:DA4504 3.0 23.8 1.0 CE1 A:HIS94 3.0 13.2 1.0 CD2 A:HIS94 3.0 12.0 1.0 CD2 A:HIS96 3.0 10.7 1.0 CG A:HIS119 3.1 7.4 1.0 CE1 A:HIS96 3.2 9.7 1.0 CB A:HIS119 3.6 8.3 1.0 OG1 A:THR198 3.8 9.6 1.0 OE1 A:GLU106 4.0 9.3 1.0 O3 A:DA4504 4.0 21.9 1.0 NE2 A:HIS119 4.0 10.4 1.0 C5 A:DA4504 4.1 25.7 1.0 ND1 A:HIS94 4.1 10.3 1.0 CG A:HIS94 4.1 9.7 1.0 CD2 A:HIS119 4.2 8.7 1.0 CG A:HIS96 4.2 8.3 1.0 ND1 A:HIS96 4.2 10.2 1.0 C10 A:DA4504 4.7 29.8 1.0 C6 A:DA4504 4.8 28.4 1.0 CD A:GLU106 4.9 8.3 1.0

J.Schulze Wischeler, D.Sun, N.U.Sandner, U.Linne, A.Heine, U.Koert, G.Klebe. Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II Via Tethering, Monitored By Crystallography and Mass Spectrometry. Chemistry V. 17 5842 2011.
ISSN: ISSN 0947-6539
PubMed: 21506176
DOI: 10.1002/CHEM.201002437