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Mercury in PDB 3bl0: Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

Enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

All present enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 3bl0 was solved by C.Temperini, C.T.Supuran, G.M.Blackburn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.550, 42.130, 72.410, 90.00, 104.25, 90.00
R / Rfree (%) 19.9 / 24.9

Other elements in 3bl0:

The structure of Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies (pdb code 3bl0). 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. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 3bl0:

Mercury binding site 1 out of 1 in 3bl0

Go back to Mercury Binding Sites List in 3bl0
Mercury binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies


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. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg301

b:17.0
occ:1.00
HG A:MBO301 0.0 17.0 1.0
SG A:CYS206 1.8 2.0 0.5
CE1 A:MBO301 2.3 16.8 1.0
O A:GLN137 3.0 10.8 1.0
CB A:CYS206 3.0 9.9 0.5
CB A:CYS206 3.1 7.4 0.5
O A:GLU205 3.2 8.9 1.0
CE2 A:MBO301 3.2 17.2 1.0
CE6 A:MBO301 3.2 16.4 1.0
CA A:CYS206 3.4 7.7 0.5
C A:GLN137 3.4 11.2 1.0
C A:GLU205 3.4 9.2 1.0
CA A:CYS206 3.4 9.7 0.5
N A:CYS206 3.6 8.8 1.0
N A:GLN137 3.8 12.1 1.0
O A:HOH426 3.8 17.7 1.0
N A:PRO138 4.0 10.9 1.0
SG A:CYS206 4.0 16.2 0.5
CA A:PRO138 4.1 10.8 1.0
O A:VAL135 4.1 12.2 1.0
CA A:GLN137 4.1 11.5 1.0
C A:GLN136 4.2 12.6 1.0
N A:GLU205 4.3 8.8 1.0
CA A:GLU205 4.4 9.2 1.0
C A:VAL135 4.5 12.3 1.0
CE3 A:MBO301 4.5 16.6 1.0
CE5 A:MBO301 4.5 17.0 1.0
O A:GLN136 4.6 12.0 1.0
O A:HOH438 4.7 28.6 1.0
CA A:GLN136 4.7 13.2 1.0
N A:GLN136 4.8 12.4 1.0
C A:CYS206 4.9 8.6 1.0
C A:LEU204 4.9 8.7 1.0
C A:PRO138 5.0 10.6 1.0
CB A:LEU204 5.0 8.2 1.0

Reference:

C.Temperini, A.Cecchi, N.A.Boyle, A.Scozzafava, J.E.Cabeza, P.Wentworth, G.M.Blackburn, C.T.Supuran. Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-Thiadiazole-5-Methanesulfonamide with 12 Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies. Bioorg.Med.Chem.Lett. V. 18 999 2008.
ISSN: ISSN 0960-894X
PubMed: 18162396
DOI: 10.1016/J.BMCL.2007.12.022
Page generated: Wed Oct 28 18:42:25 2020

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