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Fluorine in PDB 5so1: 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: 5so1 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) 58.95 / 2.07
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.394, 65.19, 84.337, 90, 93.47, 90
R / Rfree (%) 17.6 / 23.6

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 5so1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 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: 5so1:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5so1

Go back to Fluorine Binding Sites List in 5so1
Fluorine binding site 1 out of 3 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:35.0
occ:0.42
F A:GX4501 0.0 35.0 0.4
C A:GX4501 1.3 39.0 0.4
C12 A:GX4501 2.3 23.2 0.3
C1 A:GX4501 2.3 42.2 0.4
C5 A:GX4501 2.4 39.5 0.4
C13 A:GX4501 2.9 23.1 0.3
C11 A:GX4501 3.4 23.1 0.3
C2 A:GX4501 3.6 41.7 0.4
C4 A:GX4501 3.6 40.0 0.4
CG2 A:ILE109 3.9 30.9 1.0
CE2 B:PHE134 4.0 28.2 1.0
CZ B:PHE134 4.1 27.1 1.0
C3 A:GX4501 4.1 40.5 0.4
CD1 A:LEU112 4.2 27.3 1.0
CG1 A:ILE109 4.2 34.5 1.0
CB B:SER138 4.4 19.7 1.0
CB A:ILE109 4.6 29.8 1.0
CG2 B:ILE139 4.7 24.3 1.0
CD2 A:LEU112 4.7 26.1 1.0
C10 A:GX4501 4.8 22.9 0.3
CD2 B:PHE134 4.8 26.9 1.0
CE1 B:PHE134 4.8 29.0 1.0
CA B:VAL135 4.9 18.9 1.0

Fluorine binding site 2 out of 3 in 5so1

Go back to Fluorine Binding Sites List in 5so1
Fluorine binding site 2 out of 3 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:18.9
occ:0.30
F A:GX4501 0.0 18.9 0.3
C A:GX4501 1.3 20.4 0.3
C12 A:GX4501 2.1 47.6 0.4
C5 A:GX4501 2.3 20.2 0.3
C1 A:GX4501 2.3 21.1 0.3
CG2 A:VAL135 2.8 23.5 1.0
C13 A:GX4501 3.0 47.6 0.4
CA A:VAL135 3.0 22.7 1.0
CB A:VAL135 3.3 23.0 1.0
CE2 A:PHE134 3.4 27.6 1.0
C4 A:GX4501 3.6 20.9 0.3
N A:VAL135 3.6 20.4 1.0
C11 A:GX4501 3.6 46.7 0.4
C2 A:GX4501 3.6 21.0 0.3
CD2 A:PHE134 3.6 28.3 1.0
CG1 A:VAL135 3.6 23.2 1.0
CZ A:PHE134 3.7 27.6 1.0
C A:PHE134 3.9 21.6 1.0
O A:PHE134 4.0 22.5 1.0
CE1 A:PHE134 4.0 27.0 1.0
CG A:PHE134 4.0 25.3 1.0
C3 A:GX4501 4.1 21.5 0.3
CG2 A:ILE139 4.1 22.3 1.0
CD1 A:PHE134 4.1 28.6 1.0
C A:VAL135 4.2 22.7 1.0
O A:VAL135 4.3 20.7 1.0
O A:GX4501 4.4 44.3 0.4
C10 A:GX4501 4.5 44.8 0.4
CB A:PHE134 4.9 23.8 1.0
CD1 B:ILE109 5.0 37.2 1.0
CB A:SER138 5.0 18.8 1.0

Fluorine binding site 3 out of 3 in 5so1

Go back to Fluorine Binding Sites List in 5so1
Fluorine binding site 3 out of 3 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 3 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:F502

b:42.3
occ:1.00
F A:GX4502 0.0 42.3 1.0
C A:GX4502 1.4 44.0 1.0
C5 A:GX4502 2.4 42.7 1.0
C1 A:GX4502 2.4 42.6 1.0
CZ A:PHE400 2.9 26.9 1.0
CB A:ALA208 3.1 17.7 1.0
CD1 A:PHE203 3.4 22.8 1.0
CE2 A:PHE400 3.4 27.4 1.0
C4 A:GX4502 3.6 44.7 1.0
C2 A:GX4502 3.7 43.8 1.0
CE1 A:PHE203 3.7 22.1 1.0
CE1 A:PHE400 4.1 26.9 1.0
C3 A:GX4502 4.2 45.2 1.0
CB A:ALA206 4.3 26.6 1.0
CE2 A:PHE230 4.5 24.9 1.0
CA A:ALA208 4.5 20.2 1.0
CG A:PHE203 4.6 22.1 1.0
CD2 A:PHE400 4.8 26.1 1.0
CA A:PHE203 4.9 21.9 1.0
CB A:PHE203 5.0 21.8 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Dec 28 04:07:49 2023

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