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Chlorine in PDB 3m5e: Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}Benzenesulfonamide
Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}Benzenesulfonamide
All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}Benzenesulfonamide:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}Benzenesulfonamide, PDB code: 3m5e
was solved by
S.Grazulis,
E.Manakova,
D.Golovenko,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.10 / 1.70 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.423, 41.486, 72.434, 90.00, 104.49, 90.00 |
| R / Rfree (%) | 16.4 / 20.2 |
Other elements in 3m5e:
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}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 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}Benzenesulfonamide
(pdb code 3m5e). 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 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}Benzenesulfonamide, PDB code: 3m5e:
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}Benzenesulfonamide, PDB code: 3m5e:
Chlorine binding site 1 out of 1 in 3m5e
Go back to
Chlorine Binding Sites List in 3m5e
Chlorine binding site 1 out
of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}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 4-{[N- (6-Chloro-5-Formyl-2-Methylthiopyrimidin-4-Yl) Amino]Methyl}Benzenesulfonamide within 5.0Å range:
|
Reference:
J.Sudzius,
L.Baranauskiene,
D.Golovenko,
J.Matuliene,
V.Michailoviene,
J.Torresan,
J.Jachno,
R.Sukackaite,
E.Manakova,
S.Grazulis,
S.Tumkevicius,
D.Matulis.
4-[N-(Substituted 4-Pyrimidinyl)Amino]Benzenesulfonamides As Inhibitors of Carbonic Anhydrase Isozymes I, II, VII, and XIII Bioorg.Med.Chem. V. 18 7413 2010.
ISSN: ISSN 0968-0896
PubMed: 20889345
DOI: 10.1016/J.BMC.2010.09.011
Page generated: Sat Jul 20 23:59:56 2024
ISSN: ISSN 0968-0896
PubMed: 20889345
DOI: 10.1016/J.BMC.2010.09.011
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