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Chlorine in PDB 6i0l: Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor, PDB code: 6i0l was solved by M.Ferraroni, C.T.Supuran, M.Bozdag, D.Chiapponi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.60 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.461, 70.453, 121.560, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 23.7

Other elements in 6i0l:

The structure of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor (pdb code 6i0l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor, PDB code: 6i0l:

Chlorine binding site 1 out of 1 in 6i0l

Go back to Chlorine Binding Sites List in 6i0l
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 1- [4-Chloro-3-(Trifluoromethyl)Phenyl]-3-[2-(4-Sulfamoylphenyl) Ethyl]Urea Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:0.0
occ:1.00
 CL1 B:GZH302 0.0 0.0 1.0
C21 B:GZH302 1.7 92.2 1.0
C20 B:GZH302 2.7 86.8 1.0
C22 B:GZH302 2.7 90.5 1.0
F25 B:GZH302 2.8 96.7 1.0
C24 B:GZH302 3.2 97.2 1.0
F26 B:GZH302 3.8 0.2 1.0
C19 B:GZH302 4.0 77.2 1.0
C23 B:GZH302 4.0 78.2 1.0
O B:ALA132 4.4 40.5 1.0
F27 B:GZH302 4.4 0.9 1.0
C18 B:GZH302 4.5 72.2 1.0
OH B:TYR204 4.8 38.4 1.0
O B:HOH402 4.9 38.6 1.0
O B:HOH422 5.0 34.0 1.0

Reference:

M.Ferraroni, C.T.Supuran, M.Bozdag, D.Chiapponi. New Classes of Carbonic Anhydrase Inhibitors To Be Published.
Page generated: Sun Jul 28 01:28:54 2024

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