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Fluorine in PDB 4y11: Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid
Enzymatic activity of Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid
All present enzymatic activity of Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid:
3.4.21.4;
3.4.21.4;
Protein crystallography data
The structure of Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid, PDB code: 4y11
was solved by
B.Loll,
S.Ye,
A.A.Berger,
U.Muelow,
C.Alings,
M.C.Wahl,
B.Koksch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 36.10 / 1.30 |
| Space group | I 2 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 74.971, 82.102, 123.578, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 13.4 / 15.6 |
Other elements in 4y11:
The structure of Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid also contains other interesting chemical elements:
| Calcium | (Ca) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid
(pdb code 4y11). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid, PDB code: 4y11:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid, PDB code: 4y11:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 4y11
Go back to
Fluorine Binding Sites List in 4y11
Fluorine binding site 1 out
of 3 in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid
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 Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 4y11
Go back to
Fluorine Binding Sites List in 4y11
Fluorine binding site 2 out
of 3 in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid
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 Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 4y11
Go back to
Fluorine Binding Sites List in 4y11
Fluorine binding site 3 out
of 3 in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid
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 Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4,4- Trifluorobutanoic Acid within 5.0Å range:
|
Reference:
S.Ye,
B.Loll,
A.A.Berger,
U.Mulow,
C.Alings,
M.C.Wahl,
B.Koksch.
Fluorine Teams Up with Water to Restore Inhibitor Activity to Mutant Bpti. Chem Sci V. 6 5246 2015.
ISSN: ISSN 2041-6520
PubMed: 29449928
DOI: 10.1039/C4SC03227F
Page generated: Sun Dec 13 12:15:36 2020
ISSN: ISSN 2041-6520
PubMed: 29449928
DOI: 10.1039/C4SC03227F
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