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Fluorine in PDB 5snd: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1217960891

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1217960891

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1217960891:
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 Z1217960891, PDB code: 5snd 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 / 1.69
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.441, 65.083, 84.385, 90, 93.53, 90
R / Rfree (%) 17.5 / 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 Z1217960891 (pdb code 5snd). 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 Z1217960891, PDB code: 5snd:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5snd

Go back to Fluorine Binding Sites List in 5snd
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 Z1217960891


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 Z1217960891 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:33.0
occ:0.78
 F A:Q49501 0.0 33.0 0.8
C8 A:Q49501 1.3 33.8 0.8
C9 A:Q49501 2.3 33.5 0.8
C7 A:Q49501 2.4 33.6 0.8
CZ A:PHE400 3.1 21.0 1.0
CB A:ALA208 3.3 18.6 1.0
CD1 A:PHE203 3.3 18.1 1.0
CE2 A:PHE400 3.5 20.6 1.0
C4 A:Q49501 3.6 35.9 0.8
C6 A:Q49501 3.6 34.4 0.8
CE1 A:PHE203 3.7 18.3 1.0
CB A:ALA206 3.8 21.1 1.0
C5 A:Q49501 4.1 34.7 0.8
CE1 A:PHE400 4.2 22.0 1.0
CG A:PHE203 4.5 17.8 1.0
CA A:PHE203 4.7 17.1 1.0
CA A:ALA208 4.7 19.1 1.0
O A:Q49501 4.7 37.9 0.8
O A:PHE203 4.7 19.3 1.0
CD2 A:PHE400 4.8 20.8 1.0
CE2 A:PHE230 4.8 17.4 1.0
CB A:PHE203 4.9 17.5 1.0
C3 A:Q49501 5.0 38.4 0.8
O A:HOH683 5.0 17.0 1.0

Fluorine binding site 2 out of 2 in 5snd

Go back to Fluorine Binding Sites List in 5snd
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 Z1217960891


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 Z1217960891 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:48.5
occ:0.84
 F B:Q49501 0.0 48.5 0.8
C8 B:Q49501 1.3 47.7 0.8
C9 B:Q49501 2.4 45.4 0.8
C7 B:Q49501 2.4 46.0 0.8
CD1 B:PHE203 3.2 21.2 1.0
CZ B:PHE400 3.3 27.5 1.0
CE2 B:PHE400 3.4 25.4 1.0
CB B:ALA208 3.5 19.4 1.0
C4 B:Q49501 3.6 45.8 0.8
CB B:ALA206 3.6 22.5 1.0
CE1 B:PHE203 3.6 21.1 1.0
C6 B:Q49501 3.6 45.9 0.8
C5 B:Q49501 4.1 45.2 0.8
CG B:PHE203 4.3 20.4 1.0
CA B:PHE203 4.4 18.6 1.0
O A:HOH708 4.4 20.6 1.0
CE1 B:PHE400 4.5 27.4 1.0
O B:PHE203 4.6 20.5 1.0
CB B:PHE203 4.7 19.8 1.0
CD2 B:PHE400 4.8 27.9 1.0
O B:Q49501 4.8 47.3 0.8
CB A:VAL135 4.8 19.2 1.0
CA B:ALA208 4.9 20.2 1.0
CZ B:PHE203 4.9 21.9 1.0
CG2 A:VAL135 5.0 19.0 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:41:28 2024

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