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Fluorine in PDB 1g1d: Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide
Enzymatic activity of Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide
All present enzymatic activity of Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide, PDB code: 1g1d
was solved by
C.-Y.Kim,
J.S.Chang,
J.B.Doyon,
T.T.Baird Jr.,
C.A.Fierke,
A.Jain,
D.W.Christianson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 20.00 / 2.04 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.790, 41.860, 72.730, 90.00, 104.70, 90.00 |
| R / Rfree (%) | 19.8 / 27.7 |
Other elements in 1g1d:
The structure of Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide also contains other interesting chemical elements:
| Mercury | (Hg) | 1 atom |
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide
(pdb code 1g1d). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide, PDB code: 1g1d:
In total only one binding site of Fluorine was determined in the Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide, PDB code: 1g1d:
Fluorine binding site 1 out of 1 in 1g1d
Go back to
Fluorine Binding Sites List in 1g1d
Fluorine binding site 1 out
of 1 in the Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Carbonic Anhydrase II Complexed with 4-(Aminosulfonyl)-N-[(2- Fluorophenyl)Methyl]-Benzamide within 5.0Å range:
|
Reference:
C.-Y.Kim,
J.S.Chang,
J.B.Doyon,
T.T.Baird Jr.,
C.A.Fierke,
A.Jain,
D.W.Christianson.
Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc. V. 122 12125 2000.
ISSN: ISSN 0002-7863
DOI: 10.1021/JA002627N
Page generated: Wed Jul 31 11:20:47 2024
ISSN: ISSN 0002-7863
DOI: 10.1021/JA002627N
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