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Chlorine in PDB 3s9t: Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide
Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide
All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide, PDB code: 3s9t
was solved by
S.Grazulis,
E.Manakova,
G.Tamulaitiene,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 69.67 / 1.30 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.012, 41.058, 71.839, 90.00, 104.15, 90.00 |
| R / Rfree (%) | 14.3 / 19.2 |
Other elements in 3s9t:
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide
(pdb code 3s9t). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide, PDB code: 3s9t:
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide, PDB code: 3s9t:
Chlorine binding site 1 out of 1 in 3s9t
Go back to
Chlorine Binding Sites List in 3s9t
Chlorine binding site 1 out
of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2- Chloro-5-{[(4,6-Dimethyl-2-Pyrimidinyl) Sulfanyl]Acetyl}Benzenesulfonamide within 5.0Å range:
|
Reference:
E.Capkauskaite,
A.Zubriene,
L.Baranauskiene,
G.Tamulaitiene,
E.Manakova,
V.Kairys,
S.Grazulis,
S.Tumkevicius,
D.Matulis.
Design of [(2-Pyrimidinylthio)Acetyl]Benzenesulfonamides As Inhibitors of Human Carbonic Anhydrases. Eur.J.Med.Chem. V. 51 259 2012.
ISSN: ISSN 0223-5234
PubMed: 22440859
DOI: 10.1016/J.EJMECH.2012.02.050
Page generated: Fri Jul 11 10:10:48 2025
ISSN: ISSN 0223-5234
PubMed: 22440859
DOI: 10.1016/J.EJMECH.2012.02.050
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