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Fluorine in PDB 5sne: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z192955056

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z192955056

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z192955056:
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 Z192955056, PDB code: 5sne 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) 68.61 / 1.96
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.282, 65.029, 84.344, 90, 93.48, 90
R / Rfree (%) 18.9 / 23.7

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 Z192955056 (pdb code 5sne). 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 Z192955056, PDB code: 5sne:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5sne

Go back to Fluorine Binding Sites List in 5sne
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 Z192955056


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 Z192955056 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:23.6
occ:0.57
 F A:Q4L501 0.0 23.6 0.6
C9 A:Q4L501 1.4 22.7 0.6
C A:Q4L501 2.2 42.4 0.2
C10 A:Q4L501 2.4 23.5 0.6
C8 A:Q4L501 2.4 21.6 0.6
CA B:VAL135 3.4 18.7 1.0
O A:Q4L501 3.5 41.9 0.2
CG1 B:VAL135 3.5 21.0 1.0
C11 A:Q4L501 3.6 22.2 0.6
O B:VAL135 3.6 20.1 1.0
CG2 B:ILE139 3.6 29.8 1.0
C7 A:Q4L501 3.6 21.2 0.6
CB B:VAL135 3.7 18.8 1.0
CG2 B:VAL135 3.7 19.8 1.0
O1 A:Q4L501 3.8 41.8 0.2
CG1 A:ILE109 3.9 31.0 1.0
C B:VAL135 4.0 19.5 1.0
C1 A:Q4L501 4.1 41.2 0.2
C6 A:Q4L501 4.1 21.6 0.6
N B:VAL135 4.5 18.0 1.0
CD1 A:ILE109 4.5 32.8 1.0
CG2 A:ILE109 4.5 26.9 1.0
O B:PHE134 4.6 16.8 1.0
N B:ILE139 4.6 22.3 1.0
CB B:SER138 4.7 18.9 1.0
CE2 B:PHE134 4.7 26.7 1.0
CB A:ILE109 4.7 25.3 1.0
CB B:ILE139 4.9 26.1 1.0
C B:PHE134 4.9 19.5 1.0
CA B:ILE139 4.9 23.5 1.0
CD2 B:PHE134 5.0 26.1 1.0

Fluorine binding site 2 out of 2 in 5sne

Go back to Fluorine Binding Sites List in 5sne
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 Z192955056


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 Z192955056 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:41.7
occ:0.21
 F A:Q4L501 0.0 41.7 0.2
C9 A:Q4L501 1.3 40.3 0.2
C A:Q4L501 2.3 20.1 0.6
C8 A:Q4L501 2.3 40.2 0.2
C10 A:Q4L501 2.3 40.0 0.2
CB A:SER138 3.2 17.9 1.0
O A:Q4L501 3.3 20.6 0.6
CG2 A:ILE139 3.5 20.7 1.0
CE1 A:PHE134 3.5 27.6 1.0
O A:PHE134 3.6 15.1 1.0
C11 A:Q4L501 3.6 39.9 0.2
C7 A:Q4L501 3.6 39.8 0.2
CZ A:PHE134 3.6 27.9 1.0
O1 A:Q4L501 3.8 19.2 0.6
CA A:VAL135 3.9 18.3 1.0
C1 A:Q4L501 4.0 20.0 0.6
N A:ILE139 4.0 16.6 1.0
OG A:SER138 4.0 20.8 1.0
O A:VAL135 4.0 19.0 1.0
CD1 A:PHE134 4.1 26.8 1.0
C6 A:Q4L501 4.1 39.5 0.2
C A:SER138 4.1 16.0 1.0
CG1 A:ILE115 4.1 26.6 1.0
CA A:SER138 4.2 16.5 1.0
CE2 A:PHE134 4.2 29.4 1.0
C A:PHE134 4.3 17.9 1.0
CD1 A:ILE115 4.4 28.1 1.0
N A:VAL135 4.4 16.5 1.0
C A:VAL135 4.5 18.8 1.0
CA A:ILE139 4.5 16.9 1.0
CG A:PHE134 4.6 25.4 1.0
CD2 A:PHE134 4.6 28.7 1.0
CB A:ILE139 4.7 19.5 1.0
CG2 A:VAL135 4.7 21.3 1.0
CB A:VAL135 4.7 21.4 1.0
N A:SER138 4.7 16.9 1.0
O A:SER138 4.8 15.5 1.0
CG1 A:VAL135 4.9 21.2 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:41:35 2024

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