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

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

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

Resolution Low / High (Å) 29.07 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.242, 41.214, 71.985, 90.00, 104.21, 90.00
R / Rfree (%) 16.1 / 18.6

Other elements in 4kuw:

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

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Fluorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor (pdb code 4kuw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Fluorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor, PDB code: 4kuw:

Fluorine binding site 1 out of 1 in 4kuw

Go back to Fluorine Binding Sites List in 4kuw
Fluorine binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Fluorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-(4-Fluorophenylsulfonyl)Ureido)Pyridine-2-Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:28.6
occ:1.00
 F20 A:MB2304 0.0 28.6 1.0
C19 A:MB2304 1.3 27.6 1.0
C18 A:MB2304 2.4 27.3 1.0
C21 A:MB2304 2.4 27.3 1.0
O A:HOH511 2.7 20.7 1.0
CG2 A:VAL135 3.2 7.5 1.0
CA A:GLY132 3.5 7.4 1.0
C17 A:MB2304 3.6 27.1 1.0
C22 A:MB2304 3.6 27.1 1.0
O A:GLY132 3.8 7.6 1.0
C16 A:MB2304 4.1 26.7 1.0
C A:GLY132 4.1 7.4 1.0
O A:HOH678 4.2 43.1 1.0
N A:GLY132 4.5 7.3 1.0
CB A:VAL135 4.6 7.4 1.0
O A:PHE131 4.7 7.0 1.0
CG1 A:VAL135 4.8 7.3 1.0
CD2 A:PHE131 4.8 7.3 1.0
CE2 A:PHE131 4.9 7.3 1.0
C A:PHE131 5.0 7.3 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: Thu Aug 1 03:17:51 2024

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