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Zinc in PDB 5n25: Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-Pyridin-3-Yl-Benzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-Pyridin-3-Yl-Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-Pyridin-3-Yl-Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-Pyridin-3-Yl-Benzenesulfonamide, PDB code: 5n25 was solved by M.Ferraroni, C.T.Supuran, A.Scozzafava, F.Carta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.389, 41.188, 71.794, 90.00, 104.41, 90.00
R / Rfree (%) 17.2 / 19.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-Pyridin-3-Yl-Benzenesulfonamide (pdb code 5n25). 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 Human Carbonic Anhydrase II in Complex with the Inhibitor 4-Pyridin-3-Yl-Benzenesulfonamide, PDB code: 5n25:

Zinc binding site 1 out of 1 in 5n25

Go back to Zinc Binding Sites List in 5n25
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-Pyridin-3-Yl-Benzenesulfonamide


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 Human Carbonic Anhydrase II in Complex with the Inhibitor 4-Pyridin-3-Yl-Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.2
occ:1.00
 N3 A:8HK302 1.9 7.8 1.0
NE2 A:HIS94 2.0 6.5 1.0
NE2 A:HIS96 2.1 6.8 1.0
ND1 A:HIS119 2.1 6.4 1.0
CD2 A:HIS94 2.9 6.5 1.0
CE1 A:HIS119 3.0 6.2 1.0
O2 A:8HK302 3.0 7.5 1.0
CD2 A:HIS96 3.0 6.8 1.0
S1 A:8HK302 3.0 7.6 1.0
CE1 A:HIS94 3.1 6.3 1.0
CE1 A:HIS96 3.1 6.9 1.0
CG A:HIS119 3.2 6.2 1.0
CB A:HIS119 3.6 6.3 1.0
OG1 A:THR199 3.9 7.2 1.0
OE1 A:GLU106 4.0 7.2 1.0
O1 A:8HK302 4.1 7.8 1.0
CG A:HIS94 4.1 6.4 1.0
NE2 A:HIS119 4.1 6.2 1.0
ND1 A:HIS94 4.1 6.4 1.0
ND1 A:HIS96 4.2 6.8 1.0
C10 A:8HK302 4.2 8.3 1.0
CG A:HIS96 4.2 6.8 1.0
CD2 A:HIS119 4.2 6.2 1.0
C3 A:GOL304 4.4 10.1 1.0
C3 A:8HK302 4.8 8.9 1.0
CD A:GLU106 4.9 7.6 1.0

Reference:

M.Ferraroni, B.Cornelio, J.Sapi, C.T.Supuran, A.Scozzafava. Sulfonamide Carbonic Anhydrase Inhibitors: Zinc Coordination and Tail Effects Influence Inhibitory Efficacy and Selectivity For Different Isoforms Inorg.Chim.Acta. V. 470 128 2018.
ISSN: ISSN 0020-1693
DOI: 10.1016/J.ICA.2017.03.038
Page generated: Sun Oct 27 22:29:25 2024

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