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Fluorine in PDB 5sna: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z30620520

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z30620520

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z30620520:
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 Z30620520, PDB code: 5sna 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) 84.22 / 1.83
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 138.893, 65.914, 84.365, 90, 93.4, 90
R / Rfree (%) 22.4 / 26.1

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 Z30620520 (pdb code 5sna). 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 Z30620520, PDB code: 5sna:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5sna

Go back to Fluorine Binding Sites List in 5sna
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 Z30620520


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 Z30620520 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:24.0
occ:0.48
 F A:GX4501 0.0 24.0 0.5
C13 A:GX4501 1.0 29.9 0.3
C A:GX4501 1.4 22.8 0.5
C12 A:GX4501 1.7 29.5 0.3
C11 A:GX4501 2.2 29.2 0.3
C5 A:GX4501 2.4 22.4 0.5
C1 A:GX4501 2.4 21.7 0.5
C10 A:GX4501 3.5 28.9 0.3
CA B:VAL135 3.5 18.8 1.0
CG1 B:VAL135 3.6 19.4 1.0
C4 A:GX4501 3.7 21.4 0.5
C2 A:GX4501 3.7 20.5 0.5
CG2 B:VAL135 3.8 18.9 1.0
CB B:VAL135 3.8 19.6 1.0
O A:GX4501 3.8 28.0 0.3
CG2 B:ILE139 3.9 22.7 1.0
O B:VAL135 4.1 16.2 1.0
C3 A:GX4501 4.2 20.2 0.5
CG1 A:ILE109 4.2 24.1 1.0
C B:VAL135 4.3 19.7 1.0
CE2 B:PHE134 4.3 24.9 1.0
N B:VAL135 4.5 19.2 1.0
O B:PHE134 4.5 18.1 1.0
CB B:SER138 4.6 17.7 1.0
CZ B:PHE134 4.6 24.1 1.0
N1 A:GX4501 4.6 29.0 0.3
CD2 B:PHE134 4.6 23.2 1.0
CD1 A:ILE109 4.7 26.1 1.0
CG2 A:ILE109 4.7 24.2 1.0
N B:ILE139 4.8 17.3 1.0
C B:PHE134 4.8 19.8 1.0
CB A:ILE109 4.9 21.4 1.0

Fluorine binding site 2 out of 2 in 5sna

Go back to Fluorine Binding Sites List in 5sna
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 Z30620520


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 Z30620520 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:25.6
occ:0.27
 F A:GX4501 0.0 25.6 0.3
C A:GX4501 1.3 26.2 0.3
C13 A:GX4501 1.6 16.2 0.5
C12 A:GX4501 1.9 16.0 0.5
C1 A:GX4501 2.3 26.6 0.3
C5 A:GX4501 2.4 26.1 0.3
C11 A:GX4501 2.4 16.8 0.5
CG2 A:ILE139 3.3 21.4 1.0
C2 A:GX4501 3.6 27.3 0.3
C4 A:GX4501 3.6 26.6 0.3
C10 A:GX4501 3.8 17.3 0.5
C3 A:GX4501 4.1 27.4 0.3
CZ A:PHE134 4.5 27.1 1.0
CB A:SER138 4.5 18.4 1.0
N A:ILE139 4.5 18.8 1.0
CB A:ILE139 4.5 20.9 1.0
CG2 B:ILE109 4.6 20.7 1.0
O A:GX4501 4.6 17.8 0.5
CG1 B:ILE109 4.6 21.4 1.0
N1 A:GX4501 4.6 17.8 0.5
CA A:VAL135 4.6 20.9 1.0
CA A:ILE139 4.6 18.0 1.0
O A:VAL135 4.7 20.2 1.0
CD2 B:LEU112 4.8 29.6 1.0
O B:ILE109 4.8 17.8 1.0
CE1 A:PHE134 4.8 26.5 1.0
CE2 A:PHE134 4.8 26.7 1.0
CG2 A:VAL135 4.8 21.9 1.0
CG1 A:VAL135 4.9 21.6 1.0
C A:SER138 4.9 18.8 1.0
CA B:ILE109 4.9 17.0 1.0
CB B:ILE109 4.9 18.9 1.0
CD1 B:ILE109 5.0 24.5 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:41:22 2024

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