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Sodium in PDB 4qsi: Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide
Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide
All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide, PDB code: 4qsi
was solved by
E.Manakova,
A.Smirnov,
S.Grazulis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 24.36 / 1.95 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.062, 40.918, 71.594, 90.00, 104.01, 90.00 |
| R / Rfree (%) | 15.7 / 20.9 |
Other elements in 4qsi:
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
| Zinc | (Zn) | 1 atom |
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide
(pdb code 4qsi). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide, PDB code: 4qsi:
In total only one binding site of Sodium was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide, PDB code: 4qsi:
Sodium binding site 1 out of 1 in 4qsi
Go back to
Sodium Binding Sites List in 4qsi
Sodium binding site 1 out
of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(4- Tert-Buthyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Thio]Acetyl}-2- Chlorobenzenesulfonamide within 5.0Å range:
|
Reference:
M.Kisonaite,
A.Zubriene,
E.Capkauskaite,
A.Smirnov,
J.Smirnoviene,
V.Kairys,
V.Michailoviene,
E.Manakova,
S.Grazulis,
D.Matulis.
Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with A Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One V. 9 14106 2014.
ISSN: ESSN 1932-6203
PubMed: 25493428
DOI: 10.1371/JOURNAL.PONE.0114106
Page generated: Mon Oct 7 18:06:09 2024
ISSN: ESSN 1932-6203
PubMed: 25493428
DOI: 10.1371/JOURNAL.PONE.0114106
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