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Zinc in PDB 4ilx: Structure of Human Carbonic Anhydrase II in Complex with An Adamantyl Sulfonamide Inhibitor

Enzymatic activity of Structure of Human Carbonic Anhydrase II in Complex with An Adamantyl Sulfonamide Inhibitor

All present enzymatic activity of Structure of Human Carbonic Anhydrase II in Complex with An Adamantyl Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Structure of Human Carbonic Anhydrase II in Complex with An Adamantyl Sulfonamide Inhibitor, PDB code: 4ilx was solved by S.Biswas, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.70 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.382, 41.354, 72.096, 90.00, 104.10, 90.00
R / Rfree (%) 14.9 / 18.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Human Carbonic Anhydrase II in Complex with An Adamantyl Sulfonamide Inhibitor (pdb code 4ilx). 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 Structure of Human Carbonic Anhydrase II in Complex with An Adamantyl Sulfonamide Inhibitor, PDB code: 4ilx:

Zinc binding site 1 out of 1 in 4ilx

Go back to Zinc Binding Sites List in 4ilx
Zinc binding site 1 out of 1 in the Structure of Human Carbonic Anhydrase II in Complex with An Adamantyl Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human Carbonic Anhydrase II in Complex with An Adamantyl Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.1
occ:1.00
 N01 A:1EZ303 1.9 5.3 1.0
NE2 A:HIS94 2.0 4.2 1.0
NE2 A:HIS96 2.0 5.0 1.0
ND1 A:HIS119 2.1 5.2 1.0
CE1 A:HIS119 2.9 4.4 1.0
CD2 A:HIS94 3.0 7.4 1.0
CE1 A:HIS94 3.0 5.9 1.0
CE1 A:HIS96 3.0 6.7 1.0
CD2 A:HIS96 3.0 6.5 1.0
S02 A:1EZ303 3.1 9.0 1.0
O03 A:1EZ303 3.1 8.6 1.0
CG A:HIS119 3.2 6.0 1.0
CB A:HIS119 3.6 6.2 1.0
OG1 A:THR199 3.9 6.4 1.0
OE1 A:GLU106 3.9 8.9 1.0
ND1 A:HIS94 4.1 7.2 1.0
CG A:HIS94 4.1 6.6 1.0
NE2 A:HIS119 4.1 6.2 1.0
O04 A:1EZ303 4.1 9.1 1.0
ND1 A:HIS96 4.1 6.4 1.0
CG A:HIS96 4.2 6.6 1.0
C05 A:1EZ303 4.2 9.0 1.0
CD2 A:HIS119 4.2 6.4 1.0
C1 A:GOL302 4.5 12.5 1.0
C24 A:1EZ303 4.8 10.8 1.0
CD A:GLU106 4.9 8.1 1.0

Reference:

S.Biswas, F.Carta, A.Scozzafava, R.Mckenna, C.T.Supuran. Structural Effect of Phenyl Ring Compared to Thiadiazole Based Adamantyl-Sulfonamides on Carbonic Anhydrase Inhibition. Bioorg.Med.Chem. V. 21 2314 2013.
ISSN: ISSN 0968-0896
PubMed: 23490152
DOI: 10.1016/J.BMC.2013.02.022
Page generated: Wed Dec 16 05:24:18 2020

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