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Fluorine in PDB 6r2r: Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid

Enzymatic activity of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid

All present enzymatic activity of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid:
4.1.1.102;

Protein crystallography data

The structure of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid, PDB code: 6r2r was solved by S.S.Bailey, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.64 / 1.13
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.681, 63.945, 87.573, 90.00, 90.00, 90.00
R / Rfree (%) 11.9 / 14.2

Other elements in 6r2r:

The structure of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid also contains other interesting chemical elements:

Potassium (K) 2 atoms
Manganese (Mn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid (pdb code 6r2r). 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 Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid, PDB code: 6r2r:

Fluorine binding site 1 out of 1 in 6r2r

Go back to Fluorine Binding Sites List in 6r2r
Fluorine binding site 1 out of 1 in the Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Aspergillus Niger Ferulic Acid Decarboxylase (Fdc) in Complex with Prfmn (Purified in Dark) and Alphafluorocinnamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F605

b:26.8
occ:0.80
 F1 A:4LW605 0.0 26.8 0.8
CA A:4LW605 1.4 20.2 0.8
C A:4LW605 2.3 19.4 0.8
CB A:4LW605 2.4 17.6 0.8
OXT A:4LW605 2.5 14.7 0.8
O2 A:BYN604 2.6 9.4 0.2
OE2 A:GLU282 2.6 8.9 0.2
CD2 A:4LW605 2.9 13.2 0.8
CG A:4LW605 3.1 14.5 0.8
SD A:MET283 3.1 9.3 1.0
CG A:MET283 3.3 8.2 1.0
O A:4LW605 3.5 18.8 0.8
CD A:GLU282 3.5 5.5 0.2
C11 A:BYN604 3.5 15.5 1.0
CB A:MET283 3.5 8.2 1.0
OE1 A:GLU282 3.8 7.9 0.2
C12 A:BYN604 3.8 10.4 1.0
CD1 A:ILE327 3.9 8.6 1.0
N3 A:BYN604 4.0 11.2 1.0
CD2 A:LEU439 4.0 13.4 0.5
N A:MET283 4.2 8.5 1.0
CE2 A:4LW605 4.3 13.9 0.8
CD1 A:4LW605 4.4 14.3 0.8
C5 A:BYN604 4.5 7.8 1.0
CA A:MET283 4.5 8.3 1.0
C3 A:BYN604 4.5 9.5 1.0
CG2 A:THR323 4.6 8.9 1.0
CE A:MET283 4.7 10.5 1.0
CG A:GLU282 4.7 4.8 0.2
CB A:THR323 4.8 7.6 1.0
CD1 A:LEU439 4.9 19.0 0.5
C7 A:BYN604 4.9 7.2 1.0
CZ A:PHE437 4.9 11.4 1.0
C4 A:BYN604 5.0 7.8 1.0
C6 A:BYN604 5.0 7.1 1.0

Reference:

S.S.Bailey, K.A.P.Payne, A.Saaret, S.A.Marshall, I.Gostimskaya, I.Kosov, K.Fisher, S.Hay, D.Leys. Atomic Description of An Enzyme Reaction Dependent on Reversible 1,3-Dipolar Cycloaddition To Be Published.
Page generated: Tue Jul 15 15:13:27 2025

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