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Fluorine in PDB 7bmi: Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER)
Enzymatic activity of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER)
All present enzymatic activity of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER):
1.14.11.16; 3.4.21.6;
1.14.11.16; 3.4.21.6;
Protein crystallography data
The structure of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER), PDB code: 7bmi
was solved by
Y.Nakashima,
L.Brewitz,
C.J.Schofield,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 46.06 / 1.66 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.702, 91.274, 122.629, 90, 90, 90 |
| R / Rfree (%) | 18.9 / 22 |
Other elements in 7bmi:
The structure of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER) also contains other interesting chemical elements:
| Manganese | (Mn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER)
(pdb code 7bmi). 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 Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER), PDB code: 7bmi:
In total only one binding site of Fluorine was determined in the Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER), PDB code: 7bmi:
Fluorine binding site 1 out of 1 in 7bmi
Go back to
Fluorine Binding Sites List in 7bmi
Fluorine binding site 1 out
of 1 in the Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER)
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 Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, 3-Fluoropyridine-2,4-Dicarboxylic Acid, and Factor X Substrate Peptide Fragment (39MER-4SER) within 5.0Å range:
|
Reference:
L.Brewitz,
Y.Nakashima,
A.Tumber,
E.Salah,
C.J.Schofield.
Fluorinated Derivatives of Pyridine-2,4-Dicarboxylate Are Potent Inhibitors of Human 2-Oxoglutarate Dependent Oxygenases J Fluor Chem V. 247 09804 2021.
DOI: 10.1016/J.JFLUCHEM.2021.109804
Page generated: Fri Aug 2 06:02:02 2024
DOI: 10.1016/J.JFLUCHEM.2021.109804
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