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Zinc in PDB 3kne: Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole

Enzymatic activity of Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole

All present enzymatic activity of Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole, PDB code: 3kne was solved by J.Schulze-Wischeler, 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 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.400, 41.500, 72.000, 90.00, 104.30, 90.00
R / Rfree (%) 12.8 / 18.3

Other elements in 3kne:

The structure of Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole (pdb code 3kne). 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 Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole, PDB code: 3kne:

Zinc binding site 1 out of 1 in 3kne

Go back to Zinc Binding Sites List in 3kne
Zinc binding site 1 out of 1 in the Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II H64C Mutant in Complex with An in Situ Formed Triazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn500

b:7.0
occ:1.00
 N1 A:DAW502 1.9 8.0 1.0
NE2 A:HIS94 2.0 6.4 1.0
NE2 A:HIS96 2.0 6.6 1.0
ND1 A:HIS119 2.1 6.8 1.0
CE1 A:HIS119 2.9 6.7 1.0
CD2 A:HIS94 3.0 6.5 1.0
CD2 A:HIS96 3.0 7.0 1.0
S1 A:DAW502 3.0 7.5 1.0
CE1 A:HIS96 3.0 7.1 1.0
O2 A:DAW502 3.0 7.7 1.0
CE1 A:HIS94 3.0 7.3 1.0
CG A:HIS119 3.2 5.3 1.0
CB A:HIS119 3.6 6.6 1.0
OG1 A:THR198 3.9 7.8 1.0
OE1 A:GLU106 3.9 7.6 1.0
NE2 A:HIS119 4.1 6.3 1.0
O1 A:DAW502 4.1 7.3 1.0
CG A:HIS94 4.1 6.8 1.0
C1 A:DAW502 4.1 6.8 1.0
ND1 A:HIS94 4.1 7.7 1.0
CG A:HIS96 4.1 6.4 1.0
ND1 A:HIS96 4.2 8.2 1.0
CD2 A:HIS119 4.2 5.9 1.0
C21 A:DAW502 4.5 25.9 0.4
C2 A:DAW502 4.7 9.3 1.0
CD A:GLU106 4.9 8.0 1.0
C6 A:DAW502 5.0 9.1 1.0

Reference:

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
Page generated: Wed Dec 16 04:30:32 2020

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