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Fluorine in PDB 4zab: Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic Acid

Enzymatic activity of Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic Acid

All present enzymatic activity of Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic Acid:
4.1.1.61;

Protein crystallography data

The structure of Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic Acid, PDB code: 4zab was solved by K.A.P.Payne, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.28 / 1.16
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.910, 64.200, 87.790, 90.00, 90.00, 90.00
R / Rfree (%) 14.6 / 15.4

Other elements in 4zab:

The structure of Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic 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 Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic Acid (pdb code 4zab). 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 Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic Acid, PDB code: 4zab:

Fluorine binding site 1 out of 1 in 4zab

Go back to Fluorine Binding Sites List in 4zab
Fluorine binding site 1 out of 1 in the Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of A. Niger FDC1 in Complex with Alpha-Fluoro Cinnamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F606

b:22.2
occ:1.00
 F1 A:4LW606 0.0 22.2 1.0
CA A:4LW606 1.4 18.6 1.0
C A:4LW606 2.3 19.2 1.0
CB A:4LW606 2.4 19.1 1.0
OXT A:4LW606 2.6 20.4 1.0
CD2 A:4LW606 2.9 14.9 1.0
CG A:4LW606 3.0 15.0 1.0
SD A:MET283 3.1 8.8 1.0
CG A:MET283 3.3 9.0 1.0
O A:4LW606 3.5 23.2 1.0
CB A:MET283 3.6 8.5 1.0
C1 A:4LU601 3.8 13.0 0.5
N5 A:4LU601 4.0 9.7 0.5
C5 A:FZZ602 4.0 11.7 0.5
CD2 A:LEU439 4.0 21.1 0.5
C4 A:FZZ602 4.0 12.5 0.5
N3 A:FZZ602 4.0 8.7 0.5
CD1 A:ILE327 4.1 9.2 1.0
C3 A:4LU601 4.1 7.3 0.5
CE2 A:4LW606 4.2 19.6 1.0
N A:MET283 4.3 9.4 1.0
CD1 A:4LW606 4.3 13.8 1.0
C4A A:4LU601 4.6 9.2 0.5
CD1 A:LEU439 4.6 16.9 0.5
C5A A:4LU601 4.6 7.1 0.5
CA A:MET283 4.6 8.8 1.0
C15 A:FZZ602 4.6 9.4 0.5
CG2 A:THR323 4.7 8.7 1.0
CE A:MET283 4.8 10.5 1.0
C3 A:FZZ602 4.8 8.6 0.5
CZ A:PHE437 4.8 9.5 1.0
C10 A:4LU601 5.0 7.0 0.5
C17 A:FZZ602 5.0 9.3 0.5
N4 A:FZZ602 5.0 8.7 0.5

Reference:

K.A.Payne, M.D.White, K.Fisher, B.Khara, S.S.Bailey, D.Parker, N.J.Rattray, D.K.Trivedi, R.Goodacre, R.Beveridge, P.Barran, S.E.Rigby, N.S.Scrutton, S.Hay, D.Leys. New Cofactor Supports Alpha , Beta-Unsaturated Acid Decarboxylation Via 1,3-Dipolar Cycloaddition. Nature V. 522 502 2015.
ISSN: ESSN 1476-4687
PubMed: 26083754
DOI: 10.1038/NATURE14560
Page generated: Sun Dec 13 12:16:36 2020

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