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Fluorine in PDB 5so9: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1622626423

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1622626423

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1622626423:
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 Z1622626423, PDB code: 5so9 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) 59.24 / 1.51
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.98, 65.53, 84.29, 90, 93.51, 90
R / Rfree (%) 17.8 / 21

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 Z1622626423 (pdb code 5so9). 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 Z1622626423, PDB code: 5so9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5so9

Go back to Fluorine Binding Sites List in 5so9
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 Z1622626423


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 Z1622626423 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:36.6
occ:0.78
 F B:Q76501 0.0 36.6 0.8
C6 B:Q76501 1.3 38.2 0.8
F2 B:Q76501 2.1 36.3 0.8
F1 B:Q76501 2.2 39.6 0.8
C5 B:Q76501 2.4 38.6 0.8
N2 B:Q76501 3.2 38.3 0.8
C4 B:Q76501 3.3 38.6 0.8
CD1 B:PHE83 3.4 18.8 1.0
O B:PHE83 3.5 15.1 1.0
CB B:VAL86 3.5 15.2 1.0
CG1 B:VAL86 3.5 16.1 1.0
CA B:PHE83 3.7 15.8 1.0
CD2 B:LEU151 3.9 23.9 1.0
CD1 B:LEU151 3.9 21.5 1.0
CB B:PHE83 4.0 15.5 1.0
C B:PHE83 4.1 14.2 1.0
N B:ARG87 4.1 17.0 1.0
CG B:PHE83 4.2 16.9 1.0
N3 B:Q76501 4.3 37.3 0.8
CE1 B:PHE83 4.3 21.7 1.0
C3 B:Q76501 4.3 38.4 0.8
O B:DMS502 4.4 34.9 1.0
CG2 B:VAL86 4.4 16.6 1.0
CG B:LEU151 4.5 20.0 1.0
CA B:VAL86 4.5 15.5 1.0
C B:VAL86 4.5 15.5 1.0
O B:SER82 4.9 14.3 1.0
CA B:ARG87 4.9 17.4 1.0
N B:PHE83 4.9 14.2 1.0
CB B:ARG87 5.0 22.9 1.0

Fluorine binding site 2 out of 3 in 5so9

Go back to Fluorine Binding Sites List in 5so9
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 Z1622626423


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 Z1622626423 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:39.6
occ:0.78
 F1 B:Q76501 0.0 39.6 0.8
C6 B:Q76501 1.4 38.2 0.8
F2 B:Q76501 2.2 36.3 0.8
F B:Q76501 2.2 36.6 0.8
C5 B:Q76501 2.4 38.6 0.8
N2 B:Q76501 2.8 38.3 0.8
N B:ARG87 3.2 17.0 1.0
CA B:ARG87 3.3 17.4 1.0
CB B:ARG87 3.5 22.9 1.0
CG1 B:VAL86 3.7 16.1 1.0
C4 B:Q76501 3.7 38.6 0.8
O B:PHE83 3.8 15.1 1.0
C B:VAL86 3.8 15.5 1.0
O B:HOH691 4.0 19.9 1.0
N3 B:Q76501 4.1 37.3 0.8
CB B:VAL86 4.1 15.2 1.0
O B:VAL86 4.4 16.1 1.0
CG B:ARG87 4.4 29.4 1.0
CA B:VAL86 4.5 15.5 1.0
NE B:ARG87 4.5 33.4 1.0
C3 B:Q76501 4.6 38.4 0.8
C2 B:DMS508 4.6 56.0 1.0
NH1 B:ARG87 4.7 30.8 1.0
C B:PHE83 4.8 14.2 1.0
C B:ARG87 4.8 16.7 1.0
O B:DMS502 4.8 34.9 1.0
CZ B:ARG87 5.0 30.5 1.0

Fluorine binding site 3 out of 3 in 5so9

Go back to Fluorine Binding Sites List in 5so9
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 Z1622626423


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 Z1622626423 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:36.3
occ:0.78
 F2 B:Q76501 0.0 36.3 0.8
C6 B:Q76501 1.3 38.2 0.8
F B:Q76501 2.1 36.6 0.8
F1 B:Q76501 2.2 39.6 0.8
C5 B:Q76501 2.4 38.6 0.8
O B:DMS502 2.8 34.9 1.0
C4 B:Q76501 3.0 38.6 0.8
NH1 B:ARG87 3.1 30.8 1.0
O B:PHE83 3.4 15.1 1.0
N2 B:Q76501 3.6 38.3 0.8
CZ B:ARG87 3.8 30.5 1.0
CB B:PHE83 3.8 15.5 1.0
NE B:ARG87 3.9 33.4 1.0
CD1 B:PHE83 4.0 18.8 1.0
C B:PHE83 4.0 14.2 1.0
CA B:PHE83 4.0 15.8 1.0
CB B:ARG87 4.1 22.9 1.0
S B:DMS502 4.1 31.5 1.0
CG B:PHE83 4.3 16.9 1.0
C3 B:Q76501 4.3 38.4 0.8
N B:ARG87 4.4 17.0 1.0
N3 B:Q76501 4.5 37.3 0.8
CA B:ARG87 4.6 17.4 1.0
C2 B:DMS502 4.7 28.6 1.0
NH2 B:ARG87 4.8 33.5 1.0
CG B:ARG87 4.9 29.4 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:43:18 2024

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