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Zinc in PDB 4pq7: The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Sulfamide Inhibitor

Enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Sulfamide Inhibitor

All present enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Sulfamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Sulfamide Inhibitor, PDB code: 4pq7 was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.397, 41.342, 71.798, 90.00, 104.29, 90.00
R / Rfree (%) 15.6 / 19.6

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Sulfamide Inhibitor (pdb code 4pq7). 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 The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Sulfamide Inhibitor, PDB code: 4pq7:

Zinc binding site 1 out of 1 in 4pq7

Go back to Zinc Binding Sites List in 4pq7
Zinc binding site 1 out of 1 in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Sulfamide Inhibitor


Mono view


Stereo pair view

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

b:7.4
occ:1.00
 NE2 A:HIS94 2.0 5.1 1.0
N1 A:IL3302 2.0 6.5 1.0
NE2 A:HIS96 2.0 6.1 1.0
ND1 A:HIS119 2.0 6.4 1.0
CD2 A:HIS94 2.9 3.9 1.0
CE1 A:HIS119 3.0 6.2 1.0
CD2 A:HIS96 3.0 5.4 1.0
O2 A:IL3302 3.0 6.7 1.0
CE1 A:HIS94 3.0 4.8 1.0
S1 A:IL3302 3.0 8.0 1.0
CE1 A:HIS96 3.1 6.7 1.0
CG A:HIS119 3.1 5.6 1.0
CB A:HIS119 3.6 3.3 1.0
OG1 A:THR199 3.9 4.6 1.0
OE1 A:GLU106 3.9 5.0 1.0
O1 A:IL3302 4.1 7.5 1.0
CG A:HIS94 4.1 5.2 1.0
ND1 A:HIS94 4.1 3.3 1.0
N2 A:IL3302 4.1 10.8 1.0
NE2 A:HIS119 4.2 4.9 1.0
CG A:HIS96 4.2 4.3 1.0
ND1 A:HIS96 4.2 4.7 1.0
CD2 A:HIS119 4.3 4.1 1.0
C1 A:IL3302 4.3 15.7 1.0
C3 A:GOL304 4.5 9.5 1.0
CD A:GLU106 4.9 6.1 1.0

Reference:

G.De Simone, G.Pizika, S.M.Monti, A.Di Fiore, J.Ivanova, I.Vozny, P.Trapencieris, R.Zalubovskis, C.T.Supuran, V.Alterio. Hydrophobic Substituents of the Phenylmethylsulfamide Moiety Can Be Used For the Development of New Selective Carbonic Anhydrase Inhibitors. Biomed Res Int V.2014 23210 2014.
PubMed: 25258712
DOI: 10.1155/2014/523210
Page generated: Sun Oct 27 06:02:30 2024

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