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Fluorine in PDB 4y10: Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4- Difluorobutanoic Acid
Enzymatic activity of Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4- Difluorobutanoic Acid
All present enzymatic activity of Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4- Difluorobutanoic 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- Difluorobutanoic Acid, PDB code: 4y10
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) | 34.12 / 1.37 |
| Space group | I 2 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 74.694, 81.854, 123.612, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 13.8 / 16.5 |
Other elements in 4y10:
The structure of Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4- Difluorobutanoic 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- Difluorobutanoic Acid
(pdb code 4y10). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4- Difluorobutanoic Acid, PDB code: 4y10:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4- Difluorobutanoic Acid, PDB code: 4y10:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 4y10
Go back to
Fluorine Binding Sites List in 4y10
Fluorine binding site 1 out
of 2 in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4- Difluorobutanoic 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- Difluorobutanoic Acid within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 4y10
Go back to
Fluorine Binding Sites List in 4y10
Fluorine binding site 2 out
of 2 in the Trypsin in Complex with with Bpti Mutant (2S)-2-Amino-4,4- Difluorobutanoic 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- Difluorobutanoic 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 12:15:32 2020
ISSN: ISSN 2041-6520
PubMed: 29449928
DOI: 10.1039/C4SC03227F
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