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Zinc in PDB 4xe1: Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin, PDB code: 4xe1 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) 20.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.212, 41.680, 71.731, 90.00, 104.33, 90.00
R / Rfree (%) 16.8 / 21.4

Other elements in 4xe1:

The structure of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin (pdb code 4xe1). 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 Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin, PDB code: 4xe1:

Zinc binding site 1 out of 1 in 4xe1

Go back to Zinc Binding Sites List in 4xe1
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.8
occ:1.00
 N1 A:IL5305 1.9 7.7 1.0
NE2 A:HIS96 2.0 5.1 1.0
NE2 A:HIS94 2.0 7.7 1.0
ND1 A:HIS119 2.0 5.7 1.0
CD2 A:HIS96 2.9 7.6 1.0
CE1 A:HIS119 3.0 5.8 1.0
CE1 A:HIS94 3.0 7.8 1.0
O2 A:IL5305 3.0 5.5 1.0
S1 A:IL5305 3.0 8.3 1.0
CD2 A:HIS94 3.0 6.7 1.0
CE1 A:HIS96 3.1 6.2 1.0
CG A:HIS119 3.1 6.2 1.0
CB A:HIS119 3.5 3.2 1.0
OG1 A:THR199 3.9 6.5 1.0
OE1 A:GLU106 4.0 5.9 1.0
O1 A:IL5305 4.0 8.3 1.0
CG A:HIS96 4.1 5.5 1.0
ND1 A:HIS94 4.1 7.3 1.0
NE2 A:HIS119 4.2 5.7 1.0
CG A:HIS94 4.2 7.4 1.0
ND1 A:HIS96 4.2 8.0 1.0
C1 A:IL5305 4.2 9.9 1.0
CD2 A:HIS119 4.2 6.7 1.0
C3 A:GOL302 4.3 12.5 1.0
C6 A:IL5305 4.8 10.6 1.0
C2 A:GOL302 4.9 12.7 1.0
CD A:GLU106 5.0 7.9 1.0

Reference:

V.Alterio, M.Tanc, J.Ivanova, R.Zalubovskis, I.Vozny, S.M.Monti, A.Di Fiore, G.De Simone, C.T.Supuran. X-Ray Crystallographic and Kinetic Investigations of 6-Sulfamoyl-Saccharin As A Carbonic Anhydrase Inhibitor. Org.Biomol.Chem. 2015.
ISSN: ESSN 1477-0539
PubMed: 25733161
DOI: 10.1039/C4OB02648A
Page generated: Sun Oct 27 10:31:41 2024

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