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Chlorine in PDB 4kuv: Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor, PDB code: 4kuv was solved by M.Ferraroni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.323, 41.359, 72.194, 90.00, 104.30, 90.00
R / Rfree (%) 14.9 / 17

Other elements in 4kuv:

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor (pdb code 4kuv). 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 II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor, PDB code: 4kuv:

Chlorine binding site 1 out of 1 in 4kuv

Go back to Chlorine Binding Sites List in 4kuv
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide 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 II in Complex with the 5-(3-(4-Chlorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:43.0
occ:1.00
CL1 A:MB6302 0.0 43.0 1.0
C19 A:MB6302 1.8 33.7 1.0
O A:HOH511 2.5 26.8 1.0
C21 A:MB6302 2.8 31.8 1.0
C18 A:MB6302 2.8 33.0 1.0
CG2 A:VAL135 3.2 8.2 1.0
CA A:GLY132 3.7 8.4 1.0
O A:GLY132 3.7 9.0 1.0
C17 A:MB6302 4.0 30.6 1.0
C22 A:MB6302 4.0 30.7 1.0
C A:GLY132 4.2 8.3 1.0
NE2 A:GLN136 4.4 15.3 0.5
C16 A:MB6302 4.6 29.7 1.0
CB A:VAL135 4.6 8.0 1.0
N A:GLY132 4.8 8.3 1.0
CG1 A:VAL135 4.9 8.2 1.0

Reference:

M.Ferraroni, C.T.Supuran, F.Carta, M.Bozdag, A.Scozzafava. New Classes of Carbonic Anhydrase Inhibitors To Be Published.
Page generated: Fri Jul 11 17:55:10 2025

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