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Fluorine in PDB 5so5: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B:
2.3.1.179;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B, PDB code: 5so5 was solved by R.Brenk, C.Georgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.83 / 1.68
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.755, 65.596, 84.509, 90, 93.7, 90
R / Rfree (%) 18.1 / 22.2

Other elements in 5so5:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B (pdb code 5so5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B, PDB code: 5so5:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5so5

Go back to Fluorine Binding Sites List in 5so5
Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:34.2
occ:0.31
 F A:Q6C501 0.0 34.2 0.3
C3 A:Q6C501 1.0 35.4 0.3
C3 A:Q6C501 1.4 32.5 0.3
F A:Q6C501 1.5 32.1 0.3
C4 A:Q6C501 2.2 35.7 0.3
C2 A:Q6C501 2.3 34.0 0.3
C2 A:Q6C501 2.3 29.5 0.3
C4 A:Q6C501 2.5 31.8 0.3
O A:ILE109 2.7 32.0 1.0
C5 A:Q6C501 2.7 30.8 0.3
N A:Q6C501 2.8 29.7 0.3
O A:Q6C501 2.8 34.8 0.3
O1 A:Q6C501 3.0 32.2 0.3
C1 A:Q6C501 3.1 34.4 0.3
O A:Q6C501 3.2 25.2 0.3
O2 A:Q6C501 3.2 33.5 0.3
C5 A:Q6C501 3.2 36.1 0.3
CD1 A:ILE115 3.2 37.8 1.0
O2 A:Q6C501 3.2 38.5 0.3
O1 A:Q6C501 3.3 31.6 0.3
C6 A:Q6C501 3.5 39.5 0.3
C6 A:Q6C501 3.7 29.4 0.3
C9 A:Q6C501 3.8 28.1 0.3
C A:ILE109 3.9 28.7 1.0
N A:GLY111 4.2 27.7 1.0
C A:Q6C501 4.3 33.9 0.3
N A:Q6C501 4.4 36.8 0.3
C A:GLY110 4.4 25.0 1.0
CA A:GLY110 4.4 25.3 1.0
C1 A:Q6C501 4.5 25.1 0.3
C7 A:Q6C501 4.5 28.7 0.3
C8 A:Q6C501 4.6 27.4 0.3
N A:GLY110 4.6 25.9 1.0
CG1 A:ILE115 4.7 36.6 1.0
C7 A:Q6C501 4.9 41.3 0.3
CD1 B:ILE115 4.9 41.4 1.0
O A:SER138 4.9 26.1 1.0
CA A:ILE109 4.9 29.6 1.0

Fluorine binding site 2 out of 2 in 5so5

Go back to Fluorine Binding Sites List in 5so5
Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:32.1
occ:0.30
 F A:Q6C501 0.0 32.1 0.3
C3 A:Q6C501 1.1 32.5 0.3
C3 A:Q6C501 1.3 35.4 0.3
F A:Q6C501 1.5 34.2 0.3
C4 A:Q6C501 2.2 31.8 0.3
C2 A:Q6C501 2.3 34.0 0.3
C2 A:Q6C501 2.4 29.5 0.3
C4 A:Q6C501 2.4 35.7 0.3
C6 A:Q6C501 2.6 39.5 0.3
C5 A:Q6C501 2.7 36.1 0.3
O A:Q6C501 2.8 25.2 0.3
CD1 A:ILE115 2.8 37.8 1.0
C5 A:Q6C501 2.8 30.8 0.3
O A:Q6C501 2.9 34.8 0.3
O1 A:Q6C501 3.1 31.6 0.3
O2 A:Q6C501 3.3 38.5 0.3
O2 A:Q6C501 3.3 33.5 0.3
C6 A:Q6C501 3.4 29.4 0.3
O1 A:Q6C501 3.4 32.2 0.3
CD1 B:ILE115 3.4 41.4 1.0
N A:Q6C501 3.5 29.7 0.3
O A:ILE109 3.6 32.0 1.0
C1 A:Q6C501 3.8 34.4 0.3
C7 A:Q6C501 3.9 41.3 0.3
C1 A:Q6C501 4.0 25.1 0.3
N A:Q6C501 4.0 36.8 0.3
CG1 A:ILE115 4.3 36.6 1.0
CD1 A:LEU112 4.3 41.4 1.0
C7 A:Q6C501 4.4 28.7 0.3
C9 A:Q6C501 4.4 28.1 0.3
CG1 B:ILE115 4.6 34.2 1.0
C A:Q6C501 4.7 24.3 0.3
C A:Q6C501 4.7 33.9 0.3
CL A:Q6C501 4.8 49.6 0.3
C A:ILE109 4.8 28.7 1.0
C8 A:Q6C501 4.9 27.4 0.3
C9 A:Q6C501 4.9 38.2 0.3
C8 A:Q6C501 4.9 39.6 0.3
CB A:ILE115 4.9 35.9 1.0
CG2 A:ILE115 5.0 37.1 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Tue Jul 15 07:32:15 2025

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