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Zinc in PDB 3v5g: Crystal Structure of Human Carbonic Anhydrase II in Complex with the 4-Sulfamido-Benzenesulfonamide Inhibitor

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

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

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 4-Sulfamido-Benzenesulfonamide Inhibitor, PDB code: 3v5g was solved by K.D'ambrosio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.250, 41.350, 71.960, 90.00, 104.36, 90.00
R / Rfree (%) 18.6 / 21.2

Other elements in 3v5g:

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 4-Sulfamido-Benzenesulfonamide Inhibitor also contains other interesting chemical elements:

Mercury (Hg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 4-Sulfamido-Benzenesulfonamide Inhibitor (pdb code 3v5g). 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 4-Sulfamido-Benzenesulfonamide Inhibitor, PDB code: 3v5g:

Zinc binding site 1 out of 1 in 3v5g

Go back to Zinc Binding Sites List in 3v5g
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 4-Sulfamido-Benzenesulfonamide Inhibitor


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 4-Sulfamido-Benzenesulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:4.1
occ:1.00
 NE2 A:HIS94 2.0 1.7 1.0
NE2 A:HIS96 2.0 2.3 1.0
N1 A:0F3800 2.0 3.8 1.0
ND1 A:HIS119 2.0 4.1 1.0
CD2 A:HIS96 2.9 5.4 1.0
CE1 A:HIS119 2.9 3.5 1.0
O1 A:0F3800 3.0 4.3 1.0
CD2 A:HIS94 3.0 4.1 1.0
CE1 A:HIS94 3.0 2.4 1.0
S1 A:0F3800 3.1 4.4 1.0
CE1 A:HIS96 3.1 3.0 1.0
CG A:HIS119 3.2 3.0 1.0
CB A:HIS119 3.6 3.5 1.0
O A:HOH601 3.6 17.0 1.0
OG1 A:THR199 3.8 4.8 1.0
OE1 A:GLU106 4.0 5.2 1.0
O2 A:0F3800 4.1 4.5 1.0
CG A:HIS96 4.1 2.6 1.0
ND1 A:HIS96 4.1 4.4 1.0
NE2 A:HIS119 4.1 2.9 1.0
ND1 A:HIS94 4.1 2.3 1.0
CG A:HIS94 4.2 3.4 1.0
CD2 A:HIS119 4.2 3.0 1.0
C3 A:0F3800 4.3 6.4 1.0
CD A:GLU106 4.9 4.8 1.0
C4 A:0F3800 5.0 7.8 1.0
C2 A:0F3800 5.0 9.7 1.0

Reference:

K.D'ambrosio, F.Z.Smaine, F.Carta, G.De Simone, J.Y.Winum, C.T.Supuran. Development of Potent Carbonic Anhydrase Inhibitors Incorporating Both Sulfonamide and Sulfamide Groups. J.Med.Chem. V. 55 6776 2012.
ISSN: ISSN 0022-2623
PubMed: 22775345
DOI: 10.1021/JM300818K
Page generated: Sat Oct 26 17:35:24 2024

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