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Zinc in PDB 4frc: Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide

Enzymatic activity of Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide

All present enzymatic activity of Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide, PDB code: 4frc was solved by A.Di Pizio, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 0.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.179, 41.584, 72.296, 90.00, 104.20, 90.00
R / Rfree (%) 12.3 / 13.9

Other elements in 4frc:

The structure of Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide also contains other interesting chemical elements:

Mercury (Hg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide (pdb code 4frc). 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 Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide, PDB code: 4frc:

Zinc binding site 1 out of 1 in 4frc

Go back to Zinc Binding Sites List in 4frc
Zinc binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II in Complex with N'-Sulfamoylpyrrolidine-1- Carboximidamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:4.5
occ:1.00
 N10 A:0VY303 1.9 4.2 0.8
NE2 A:HIS96 2.0 4.5 1.0
NE2 A:HIS94 2.0 4.8 1.0
ND1 A:HIS119 2.0 4.5 1.0
CE1 A:HIS119 2.9 4.2 1.0
CD2 A:HIS96 3.0 4.4 1.0
O11 A:0VY303 3.0 5.6 0.8
CD2 A:HIS94 3.0 5.2 1.0
S9 A:0VY303 3.0 5.1 0.8
CE1 A:HIS94 3.0 5.1 1.0
CE1 A:HIS96 3.0 5.6 1.0
CG A:HIS119 3.1 4.1 1.0
CB A:HIS119 3.6 4.3 1.0
O A:HOH711 3.8 45.0 1.0
OG1 A:THR199 3.8 4.8 1.0
N3 A:0VY303 3.9 5.4 0.8
OE1 A:GLU106 4.0 5.0 1.0
NE2 A:HIS119 4.1 4.5 1.0
O12 A:0VY303 4.1 4.8 0.8
ND1 A:HIS96 4.1 6.0 1.0
CG A:HIS96 4.2 4.7 1.0
CG A:HIS94 4.2 4.9 1.0
ND1 A:HIS94 4.2 5.1 1.0
CD2 A:HIS119 4.2 4.3 1.0
C2 A:0VY303 4.6 5.9 0.8
N4 A:0VY303 4.6 6.5 0.8
CD A:GLU106 4.9 4.8 1.0

Reference:

A.Di Pizio, J.Schulze Wischeler, M.Haake, A.Heine, C.Supuran, G.Klebe. High Resolution Crystal Structures of Carbonic Anhydrase II in Complex with Novel Sulfamide Binders To Be Published.
Page generated: Sat Oct 26 22:52:34 2024

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