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Mercury in PDB 2q1q: Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

Enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

All present enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame 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 Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 2q1q was solved by C.Temperini, A.Innocenti, A.Mastrolorenzo, A.Scozzafava, C.T.Supuran, 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 (°) 42.190, 41.280, 72.070, 90.00, 104.29, 90.00
R / Rfree (%) 19.7 / 25.1

Other elements in 2q1q:

The structure of Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame 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 Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies (pdb code 2q1q). 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 Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 2q1q:

Mercury binding site 1 out of 1 in 2q1q

Go back to Mercury Binding Sites List in 2q1q
Mercury binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame 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 Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg263

b:40.5
occ:1.00
 SG A:CYS206 2.1 12.1 0.5
O A:HOH418 2.6 16.6 1.0
O A:GLN137 2.9 11.5 1.0
CB A:CYS206 3.2 7.5 0.5
O A:GLU205 3.2 7.3 1.0
C A:GLN137 3.2 12.3 1.0
CB A:CYS206 3.3 8.8 0.5
N A:GLN137 3.5 14.3 1.0
CA A:CYS206 3.5 8.8 0.5
CA A:CYS206 3.5 7.7 0.5
C A:GLU205 3.5 8.3 1.0
N A:CYS206 3.7 8.3 0.5
O A:VAL135 3.7 16.0 1.0
N A:CYS206 3.7 7.8 0.5
C A:GLN136 3.8 15.0 1.0
N A:PRO138 3.8 11.8 1.0
CA A:GLN137 3.9 12.8 1.0
CA A:PRO138 4.1 11.5 1.0
O A:HOH335 4.1 17.8 1.0
N A:GLU205 4.2 7.8 1.0
C A:VAL135 4.2 14.8 1.0
O A:GLN136 4.3 15.0 1.0
O A:HOH392 4.3 23.0 1.0
CA A:GLN136 4.4 15.8 1.0
CA A:GLU205 4.4 8.1 1.0
N A:GLN136 4.6 15.1 1.0
SG A:CYS206 4.6 6.9 0.5
CB A:LEU204 4.8 7.7 1.0
C A:LEU204 4.8 7.8 1.0
CD A:PRO138 4.9 12.2 1.0
C A:PRO138 5.0 10.9 1.0
C A:CYS206 5.0 8.3 0.5
C A:CYS206 5.0 7.8 0.5

Reference:

C.Temperini, A.Innocenti, A.Mastrolorenzo, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies. Bioorg.Med.Chem.Lett. V. 17 4866 2007.
ISSN: ISSN 0960-894X
PubMed: 17588751
DOI: 10.1016/J.BMCL.2007.06.044
Page generated: Sun Aug 11 02:53:28 2024

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