Chlorine in PDB 1zge: Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor

All present enzymatic activity of Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor:
4.2.1.1;

The structure of Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor, PDB code: 1zge was solved by V.S.Honndorf, A.Heine, G.Klebe, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.340, 41.660, 72.110, 90.00, 104.43, 90.00
R / Rfree (%)	15.5 / 21.6

The structure of Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor also contains other interesting chemical elements:

Mercury	(Hg)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor (pdb code 1zge). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor, PDB code: 1zge:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:22.6 occ:1.00 CL8 A:SDA300 0.0 22.6 1.0 C6 A:SDA300 1.8 16.9 1.0 C5 A:SDA300 2.7 12.9 1.0 C7 A:SDA300 2.8 15.8 1.0 OG1 A:THR200 2.8 15.0 1.0 N10 A:SDA300 2.9 14.7 1.0 O A:HOH2239 3.2 31.7 1.0 O A:PRO201 3.2 9.2 1.0 O A:HOH2125 3.7 17.9 1.0 CD A:PRO202 3.9 15.5 1.0 C4 A:SDA300 4.0 12.2 1.0 O A:THR200 4.0 9.4 1.0 O A:HOH2227 4.0 17.8 1.0 C A:PRO201 4.0 7.5 1.0 C2 A:SDA300 4.1 14.2 1.0 CD1 A:LEU198 4.1 14.8 1.0 CB A:THR200 4.2 9.9 1.0 C3 A:GOL900 4.4 14.4 1.0 N A:PRO202 4.4 11.4 1.0 C A:THR200 4.4 7.8 1.0 CB A:LEU198 4.5 11.5 1.0 C3 A:SDA300 4.5 10.1 1.0 CG A:LEU198 4.7 11.7 1.0 CA A:THR200 4.8 11.0 1.0 CD2 A:LEU198 4.9 11.1 1.0 N A:THR200 5.0 10.1 1.0

Chlorine binding site 2 out of 2 in the Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'- Dichloroaniline As Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:16.6 occ:1.00 CL9 A:SDA300 0.0 16.6 1.0 C4 A:SDA300 1.7 12.2 1.0 C5 A:SDA300 2.7 12.9 1.0 C3 A:SDA300 2.7 10.1 1.0 N10 A:SDA300 2.9 14.7 1.0 NE2 A:GLN92 3.5 12.1 1.0 O A:HOH2040 3.6 20.6 1.0 CG1 A:VAL121 3.7 13.4 1.0 CZ A:PHE131 3.8 13.3 1.0 C6 A:SDA300 4.0 16.9 1.0 C2 A:SDA300 4.0 14.2 1.0 CE1 A:PHE131 4.0 13.0 1.0 O A:HOH2240 4.1 39.3 1.0 CD A:GLN92 4.2 10.9 1.0 CG2 A:VAL121 4.2 12.0 1.0 O3 A:GOL900 4.4 14.4 1.0 CB A:VAL121 4.4 10.8 1.0 C7 A:SDA300 4.5 15.8 1.0 CG A:GLN92 4.5 8.4 1.0 O A:HOH2160 4.6 28.5 1.0 CE2 A:PHE131 4.8 14.9 1.0 C3 A:GOL900 4.9 14.4 1.0 CD2 A:LEU198 5.0 11.1 1.0

V.S.Honndorf, A.Heine, G.Klebe, C.T.Supuran. Carbonic Anhydrase II in Complex with P-Sulfonamido-O,O'-Dichloroaniline As Sulfonamide Inhibitor To Be Published.