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Zinc in PDB 6evr: Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor
Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor
All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor, PDB code: 6evr
was solved by
M.Ferraroni,
C.T.Supuran,
D.Chiapponi,
N.Chiaramonte,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 19.88 / 1.50 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 62.119, 71.064, 122.122, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.4 / 22.3 |
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor
(pdb code 6evr). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor, PDB code: 6evr:
Jump to Zinc binding site number: 1; 2;
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor, PDB code: 6evr:
Jump to Zinc binding site number: 1; 2;
Zinc binding site 1 out of 2 in 6evr
Go back to
Zinc Binding Sites List in 6evr
Zinc binding site 1 out
of 2 in the Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor within 5.0Å range:
|
Zinc binding site 2 out of 2 in 6evr
Go back to
Zinc Binding Sites List in 6evr
Zinc binding site 2 out
of 2 in the Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Human Carbonic Anhydrase I in Complex with the 4- (4 Acetyl-3-Benzylpiperazine-1 Carbonyl)Benzene-1-Sulfonamide Inhibitor within 5.0Å range:
|
Reference:
N.Chiaramonte,
S.Bua,
M.Ferraroni,
A.Nocentini,
A.Bonardi,
G.Bartolucci,
M.Durante,
L.Lucarini,
D.Chiapponi,
S.Dei,
D.Manetti,
E.Teodori,
P.Gratteri,
E.Masini,
C.T.Supuran,
M.N.Romanelli.
2-Benzylpiperazine: A New Scaffold For Potent Human Carbonic Anhydrase Inhibitors. Synthesis, Enzyme Inhibition, Enantioselectivity, Computational and Crystallographic Studies and in Vivo Activity For A New Class of Intraocular Pressure Lowering Agents. Eur J Med Chem V. 151 363 2018.
ISSN: ISSN 1768-3254
PubMed: 29635168
DOI: 10.1016/J.EJMECH.2018.04.002
Page generated: Mon Oct 28 20:25:29 2024
ISSN: ISSN 1768-3254
PubMed: 29635168
DOI: 10.1016/J.EJMECH.2018.04.002
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