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Fluorine in PDB 3rz1: Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Enzymatic activity of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
All present enzymatic activity of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase, PDB code: 3rz1
was solved by
P.W.Snyder,
S.Bai,
A.Heroux,
G.W.Whitesides,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 35.81 / 1.51 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.275, 41.682, 72.334, 90.00, 104.66, 90.00 |
| R / Rfree (%) | 12.7 / 17.6 |
Other elements in 3rz1:
The structure of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
(pdb code 3rz1). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase, PDB code: 3rz1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;
In total 9 binding sites of Fluorine where determined in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase, PDB code: 3rz1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;
Fluorine binding site 1 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 1 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Fluorine binding site 2 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 2 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 2 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Fluorine binding site 3 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 3 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 3 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Fluorine binding site 4 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 4 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 4 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Fluorine binding site 5 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 5 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 5 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Fluorine binding site 6 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 6 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 6 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Fluorine binding site 7 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 7 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 7 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Fluorine binding site 8 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 8 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 8 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Fluorine binding site 9 out of 9 in 3rz1
Go back to
Fluorine Binding Sites List in 3rz1
Fluorine binding site 9 out
of 9 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
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 9 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
|
Reference:
J.Mecinovic,
P.W.Snyder,
K.A.Mirica,
S.Bai,
E.T.Mack,
R.L.Kwant,
D.T.Moustakas,
A.Heroux,
G.M.Whitesides.
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the "Hydrophobic Wall" of Carbonic Anhydrase. J.Am.Chem.Soc. V. 133 14017 2011.
ISSN: ISSN 0002-7863
PubMed: 21790183
DOI: 10.1021/JA2045293
Page generated: Wed Jul 31 22:25:39 2024
ISSN: ISSN 0002-7863
PubMed: 21790183
DOI: 10.1021/JA2045293
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