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Mercury in PDB 3dd8: Carbonic Anhydrase Inhibitors. Interaction of the Antitumor Sulfamate Emd-486019 with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

Enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of the Antitumor Sulfamate Emd-486019 with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

All present enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of the Antitumor Sulfamate Emd-486019 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 the Antitumor Sulfamate Emd-486019 with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 3dd8 was solved by C.Temperini, A.Innocenti, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.59 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.257, 41.586, 72.466, 90.00, 104.30, 90.00
R / Rfree (%) 20.5 / 25.6

Other elements in 3dd8:

The structure of Carbonic Anhydrase Inhibitors. Interaction of the Antitumor Sulfamate Emd-486019 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 the Antitumor Sulfamate Emd-486019 with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies (pdb code 3dd8). 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 the Antitumor Sulfamate Emd-486019 with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 3dd8:

Mercury binding site 1 out of 1 in 3dd8

Go back to Mercury Binding Sites List in 3dd8
Mercury binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors. Interaction of the Antitumor Sulfamate Emd-486019 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 the Antitumor Sulfamate Emd-486019 with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg263

b:38.3
occ:1.00
SG A:CYS206 1.9 10.9 0.5
O A:GLN137 2.9 5.0 1.0
CB A:CYS206 3.2 5.5 0.5
O A:GLU205 3.2 3.7 1.0
CB A:CYS206 3.2 5.5 0.5
C A:GLN137 3.3 5.7 1.0
O A:HOH374 3.3 15.9 1.0
CA A:CYS206 3.4 5.1 0.5
C A:GLU205 3.4 3.9 1.0
N A:GLN137 3.4 7.0 1.0
CA A:CYS206 3.5 5.1 0.5
O A:VAL135 3.5 9.5 1.0
N A:CYS206 3.7 3.9 1.0
C A:GLN136 3.8 8.0 1.0
N A:PRO138 3.9 6.0 1.0
CA A:GLN137 3.9 5.9 1.0
O A:HOH364 3.9 8.4 1.0
CA A:PRO138 4.1 6.0 1.0
N A:GLU205 4.1 3.0 1.0
C A:VAL135 4.2 8.2 1.0
CA A:GLN136 4.3 8.5 1.0
O A:GLN136 4.3 7.6 1.0
CA A:GLU205 4.3 3.1 1.0
N A:GLN136 4.6 8.3 1.0
SG A:CYS206 4.7 10.9 0.5
C A:LEU204 4.8 3.1 1.0
CB A:LEU204 4.9 2.7 1.0
CD A:PRO138 4.9 5.9 1.0
C A:CYS206 4.9 4.0 1.0
CB A:GLU205 4.9 3.6 1.0

Reference:

C.Temperini, A.Innocenti, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors. Interaction of the Antitumor Sulfamate Emd 486019 with Twelve Mammalian Carbonic Anhydrase Isoforms: Kinetic and X-Ray Crystallographic Studies Bioorg.Med.Chem.Lett. V. 18 4282 2008.
ISSN: ISSN 0960-894X
PubMed: 18640037
DOI: 10.1016/J.BMCL.2008.06.105
Page generated: Sun Dec 13 19:09:10 2020

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