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Fluorine in PDB 5sog: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z57328997

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z57328997

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z57328997:
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 Z57328997, PDB code: 5sog 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) 59.18 / 1.63
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.49, 65.5, 84.37, 90, 93.62, 90
R / Rfree (%) 17.6 / 21.1

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 Z57328997 (pdb code 5sog). 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 Z57328997, PDB code: 5sog:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5sog

Go back to Fluorine Binding Sites List in 5sog
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 Z57328997


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 Z57328997 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:25.5
occ:0.18
 F1 A:S2Y501 0.0 25.5 0.2
C1 A:S2Y501 0.7 26.7 0.5
O1 A:S2Y501 0.9 26.3 0.5
C12 A:S2Y501 1.3 25.1 0.2
C2 A:S2Y501 1.7 25.2 0.5
C3 A:S2Y501 2.3 25.7 0.5
C13 A:S2Y501 2.3 25.3 0.2
C11 A:S2Y501 2.3 24.5 0.2
C7 A:S2Y501 2.9 24.8 0.5
C10 A:S2Y501 3.6 24.5 0.2
C14 A:S2Y501 3.6 25.1 0.2
C4 A:S2Y501 3.7 25.5 0.5
CZ B:PHE134 3.8 28.5 1.0
C6 A:S2Y501 4.1 24.7 0.5
C9 A:S2Y501 4.1 24.1 0.2
CE2 B:PHE134 4.2 29.5 1.0
CE1 B:PHE134 4.2 29.3 1.0
CB B:SER138 4.2 19.1 1.0
CD1 A:LEU112 4.3 28.9 1.0
C5 A:S2Y501 4.4 23.2 0.5
CG1 B:ILE115 4.4 26.1 1.0
CG2 B:ILE139 4.5 26.4 1.0
CG1 A:ILE109 4.6 34.8 1.0
CD1 B:ILE115 4.6 29.8 1.0
CG2 A:ILE109 4.7 31.9 1.0
CD1 A:ILE109 5.0 35.5 1.0
CD2 B:PHE134 5.0 28.8 1.0

Fluorine binding site 2 out of 2 in 5sog

Go back to Fluorine Binding Sites List in 5sog
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 Z57328997


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 Z57328997 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:28.1
occ:0.45
 F1 A:S2Y501 0.0 28.1 0.5
O1 A:S2Y501 0.8 24.5 0.2
C12 A:S2Y501 1.3 25.2 0.5
C2 A:S2Y501 1.5 23.8 0.2
C1 A:S2Y501 2.0 23.5 0.2
C7 A:S2Y501 2.1 24.1 0.2
C11 A:S2Y501 2.3 24.6 0.5
C13 A:S2Y501 2.4 25.0 0.5
C3 A:S2Y501 2.7 23.8 0.2
C6 A:S2Y501 3.4 24.1 0.2
CB A:SER138 3.4 18.8 1.0
CG1 A:ILE115 3.4 31.2 1.0
C10 A:S2Y501 3.6 24.4 0.5
CE1 A:PHE134 3.6 29.7 1.0
C14 A:S2Y501 3.6 23.4 0.5
CZ A:PHE134 3.6 29.4 1.0
C4 A:S2Y501 3.8 23.3 0.2
CD1 A:ILE115 3.9 32.1 1.0
C9 A:S2Y501 4.1 23.1 0.5
C5 A:S2Y501 4.1 23.4 0.2
CG2 A:ILE139 4.2 21.6 1.0
OG A:SER138 4.2 24.7 1.0
CE2 A:PHE134 4.5 32.0 1.0
CD1 A:PHE134 4.5 30.1 1.0
C A:SER138 4.5 18.9 1.0
CA A:SER138 4.6 18.2 1.0
O A:PHE134 4.7 23.1 1.0
O A:SER138 4.7 20.2 1.0
N A:ILE139 4.7 19.1 1.0
CD2 B:LEU112 4.8 36.3 1.0
CB A:ILE115 4.8 28.7 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:44:02 2024

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