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Zinc in PDB 3caj: Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide

Enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide

All present enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide, PDB code: 3caj was solved by A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.210, 41.360, 72.030, 90.00, 104.35, 90.00
R / Rfree (%) 18 / 21.4

Other elements in 3caj:

The structure of Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide also contains other interesting chemical elements:

Mercury (Hg) 1 atom
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide (pdb code 3caj). 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 Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide, PDB code: 3caj:

Zinc binding site 1 out of 1 in 3caj

Go back to Zinc Binding Sites List in 3caj
Zinc binding site 1 out of 1 in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Human Carbonic Anhydrase II in Complex with Ethoxzolamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:7.9
occ:1.00
 NE2 A:HIS96 2.0 5.4 1.0
N1 A:EZL265 2.0 8.8 1.0
ND1 A:HIS119 2.1 6.1 1.0
NE2 A:HIS94 2.1 6.6 1.0
CD2 A:HIS96 2.9 6.5 1.0
CD2 A:HIS94 2.9 8.2 1.0
CE1 A:HIS119 2.9 5.8 1.0
O1 A:EZL265 3.0 7.7 1.0
CE1 A:HIS96 3.1 5.7 1.0
S1 A:EZL265 3.1 7.9 1.0
CG A:HIS119 3.1 6.8 1.0
CE1 A:HIS94 3.1 8.5 1.0
CB A:HIS119 3.5 3.8 1.0
O A:HOH584 3.7 26.1 1.0
OG1 A:THR199 3.8 5.9 1.0
OE1 A:GLU106 4.0 5.9 1.0
CG A:HIS96 4.1 4.6 1.0
NE2 A:HIS119 4.1 6.4 1.0
CG A:HIS94 4.1 5.7 1.0
O2 A:EZL265 4.1 9.3 1.0
ND1 A:HIS96 4.1 5.9 1.0
ND1 A:HIS94 4.2 5.6 1.0
CD2 A:HIS119 4.2 6.6 1.0
C1 A:EZL265 4.3 11.0 1.0
C3 A:GOL264 4.5 14.3 1.0
CD A:GLU106 4.9 7.1 1.0

Reference:

A.Di Fiore, C.Pedone, J.Antel, H.Waldeck, A.Witte, M.Wurl, A.Scozzafava, C.T.Supuran, G.De Simone. Carbonic Anhydrase Inhibitors: the X-Ray Crystal Structure of Ethoxzolamide Complexed to Human Isoform II Reveals the Importance of THR200 and GLN92 For Obtaining Tight-Binding Inhibitors Bioorg.Med.Chem.Lett. V. 18 2669 2008.
ISSN: ISSN 0960-894X
PubMed: 18359629
DOI: 10.1016/J.BMCL.2008.03.023
Page generated: Thu Oct 24 11:45:55 2024

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