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Chlorine in PDB 4knm: Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide
Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide
All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide, PDB code: 4knm
was solved by
A.Smirnov,
E.Manakova,
S.Grazulis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 20.46 / 1.90 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 57.591, 58.165, 71.075, 90.00, 92.16, 90.00 |
| R / Rfree (%) | 17.8 / 23.5 |
Other elements in 4knm:
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide also contains other interesting chemical elements:
| Zinc | (Zn) | 2 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide
(pdb code 4knm). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide, PDB code: 4knm:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide, PDB code: 4knm:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 4knm
Go back to
Chlorine Binding Sites List in 4knm
Chlorine binding site 1 out
of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) 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 XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 4knm
Go back to
Chlorine Binding Sites List in 4knm
Chlorine binding site 2 out
of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) 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 2 of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl) Sulfanyl]Acetyl}Benzenesulfonamide within 5.0Å range:
|
Reference:
E.Capkauskaite,
A.Zubriene,
A.Smirnov,
J.Torresan,
M.Kisonaite,
J.Kazokaite,
J.Gylyte,
V.Michailoviene,
V.Jogaite,
E.Manakova,
S.Grazulis,
S.Tumkevicius,
D.Matulis.
Benzenesulfonamides with Pyrimidine Moiety As Inhibitors of Human Carbonic Anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem. V. 21 6937 2013.
ISSN: ISSN 0968-0896
PubMed: 24103428
DOI: 10.1016/J.BMC.2013.09.029
Page generated: Sun Jul 21 18:19:19 2024
ISSN: ISSN 0968-0896
PubMed: 24103428
DOI: 10.1016/J.BMC.2013.09.029
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