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Mercury in PDB 3bl1: Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications

Enzymatic activity of Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications

All present enzymatic activity of Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications, PDB code: 3bl1 was solved by C.Temperini, A.Cecchi, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.050, 41.320, 72.250, 90.00, 104.29, 90.00
R / Rfree (%) 22.4 / 29.9

Other elements in 3bl1:

The structure of Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications (pdb code 3bl1). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications, PDB code: 3bl1:

Mercury binding site 1 out of 1 in 3bl1

Go back to Mercury Binding Sites List in 3bl1
Mercury binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase Inhibitors. Sulfonamide Diuretics Revisited Old Leads For New Applications within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg263

b:39.2
occ:1.00
SG A:CYS206 1.8 6.5 0.5
O A:HOH420 2.8 11.5 1.0
CB A:CYS206 2.9 4.2 0.5
CB A:CYS206 3.0 4.3 0.5
O A:GLN137 3.0 9.9 1.0
CA A:CYS206 3.4 5.3 0.5
CA A:CYS206 3.4 5.2 0.5
C A:GLN137 3.4 10.6 1.0
O A:VAL135 3.5 18.6 1.0
O A:GLU205 3.5 5.5 1.0
N A:GLN137 3.6 13.0 1.0
C A:GLU205 3.6 5.4 1.0
N A:CYS206 3.7 4.7 1.0
C A:GLN136 3.8 13.8 1.0
SG A:CYS206 3.9 6.3 0.5
C A:VAL135 4.0 16.5 1.0
CA A:GLN137 4.0 12.1 1.0
O A:HOH412 4.1 17.0 1.0
N A:PRO138 4.1 10.8 1.0
O A:GLN136 4.2 13.3 1.0
N A:GLU205 4.2 6.9 1.0
O A:HOH372 4.2 15.7 1.0
CA A:GLN136 4.3 14.6 1.0
CA A:PRO138 4.3 11.2 1.0
N A:GLN136 4.4 15.2 1.0
CB A:LEU204 4.5 7.4 1.0
CA A:GLU205 4.5 7.1 1.0
CA A:VAL135 4.7 16.0 1.0
C A:LEU204 4.7 7.6 1.0
C A:CYS206 4.9 4.7 1.0
O A:ALA134 4.9 15.8 1.0

Reference:

C.Temperini, A.Cecchi, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors. Interaction of Indapamide and Related Diuretics with 12 Mammalian Isozymes and X-Ray Crystallographic Studies For the Indapamide-Isozyme II Adduct. Bioorg.Med.Chem.Lett. V. 18 2567 2008.
ISSN: ISSN 0960-894X
PubMed: 18374572
DOI: 10.1016/J.BMCL.2008.03.051
Page generated: Wed Oct 28 18:42:25 2020

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