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Bromine in PDB 5so4: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A:
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 JKH93A, PDB code: 5so4 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) 59.43 / 1.59
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.796, 65.808, 84.507, 90, 93.9, 90
R / Rfree (%) 18.6 / 22

Other elements in 5so4:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A (pdb code 5so4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A, PDB code: 5so4:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 5so4

Go back to Bromine Binding Sites List in 5so4
Bromine binding site 1 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br501

b:29.2
occ:0.50
 BR1 A:Q4K501 0.0 29.2 0.5
C13 A:Q4K501 1.9 27.5 0.5
O B:HOH786 2.5 32.6 1.0
C15 A:Q4K501 2.8 27.7 0.5
C12 A:Q4K501 2.9 27.2 0.5
O B:HOH695 3.1 37.9 1.0
OE1 B:GLU182 3.2 41.2 1.0
ND2 B:ASN177 3.5 24.3 1.0
CD B:GLU182 3.7 40.8 1.0
CE2 A:PHE261 3.8 15.7 1.0
CG A:MET173 3.9 18.5 0.2
OE2 B:GLU182 3.9 41.9 1.0
SD A:MET263 4.0 24.4 1.0
N16 A:Q4K501 4.1 28.5 0.5
CG A:ARG176 4.1 20.9 1.0
CG A:MET173 4.1 14.5 0.3
C11 A:Q4K501 4.2 27.9 0.5
CD2 A:PHE261 4.3 15.0 1.0
NE A:ARG176 4.3 24.1 1.0
CE A:MET173 4.5 14.7 0.3
C10 A:Q4K501 4.6 29.4 0.5
SD A:MET173 4.7 14.6 0.3
CD A:ARG176 4.8 23.0 1.0
CG B:ASN177 4.8 18.5 1.0
CB A:ARG176 4.8 19.8 1.0
CZ A:PHE261 4.8 15.3 1.0
O B:HOH650 4.8 37.9 1.0
SD A:MET173 4.9 20.7 0.2
CG B:GLU182 4.9 34.6 1.0
CB A:MET173 4.9 17.3 0.2
CA A:MET173 4.9 16.3 0.2
CA A:MET173 4.9 14.7 0.3
O A:HOH684 5.0 35.7 1.0

Bromine binding site 2 out of 4 in 5so4

Go back to Bromine Binding Sites List in 5so4
Bromine binding site 2 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br502

b:41.9
occ:0.70
 BR1 A:Q4K502 0.0 41.9 0.7
C13 A:Q4K502 2.0 38.1 0.7
C15 A:Q4K502 2.9 38.7 0.7
C12 A:Q4K502 2.9 37.6 0.7
CZ A:ARG212 3.2 32.8 1.0
NH2 A:ARG212 3.3 29.3 1.0
NH1 A:ARG221 3.3 26.0 1.0
CZ A:ARG221 3.4 24.3 1.0
NH1 A:ARG212 3.5 28.0 1.0
NE A:ARG212 3.5 26.8 1.0
NE A:ARG221 3.8 24.0 1.0
NH2 A:ARG221 3.9 25.1 1.0
CD A:ARG212 4.1 27.6 1.0
CD A:ARG221 4.2 24.3 1.0
O A:HOH775 4.2 38.5 1.0
N16 A:Q4K502 4.2 38.7 0.7
C11 A:Q4K502 4.2 37.7 0.7
O A:ARG218 4.5 24.6 0.7
CB A:ARG218 4.5 27.6 0.7
OE1 A:GLU215 4.6 29.8 1.0
CB A:ASP226 4.7 28.0 1.0
C10 A:Q4K502 4.7 40.3 0.7
O A:HOH645 4.7 28.6 1.0

Bromine binding site 3 out of 4 in 5so4

Go back to Bromine Binding Sites List in 5so4
Bromine binding site 3 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br503

b:18.9
occ:0.35
 BR1 A:Q4K503 0.0 18.9 0.3
C01 A:Q4K503 1.7 18.5 0.4
C13 A:Q4K503 1.9 14.6 0.3
C15 A:Q4K503 2.7 14.9 0.3
C12 A:Q4K503 2.8 14.8 0.3
C02 A:Q4K503 3.1 19.8 0.4
CZ A:PHE134 3.5 28.7 1.0
CE2 A:PHE134 3.8 29.8 1.0
O03 A:Q4K503 3.9 20.4 0.4
CA A:VAL135 3.9 20.7 1.0
CE1 A:PHE134 3.9 28.8 1.0
N16 A:Q4K503 4.0 14.3 0.3
CB A:SER138 4.0 19.4 1.0
C11 A:Q4K503 4.1 14.1 0.3
CG1 B:ILE109 4.2 27.3 0.7
CG2 A:VAL135 4.2 23.2 1.0
CG1 A:VAL135 4.4 22.1 1.0
O A:PHE134 4.4 22.3 1.0
CB A:VAL135 4.4 21.6 1.0
O A:VAL135 4.4 19.1 1.0
CD2 A:PHE134 4.5 28.1 1.0
C10 A:Q4K503 4.5 14.3 0.3
CD1 A:PHE134 4.6 29.8 1.0
CD1 B:ILE109 4.6 28.1 0.7
N A:VAL135 4.7 21.3 1.0
C A:VAL135 4.7 21.6 1.0
OG A:SER138 4.7 21.5 1.0
C A:PHE134 4.8 22.1 1.0
CG A:PHE134 4.8 25.0 1.0
CG1 A:ILE115 4.8 25.7 1.0
N A:ILE139 5.0 19.4 0.7
C A:SER138 5.0 19.0 1.0

Bromine binding site 4 out of 4 in 5so4

Go back to Bromine Binding Sites List in 5so4
Bromine binding site 4 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br503

b:27.8
occ:0.36
 BR1 A:Q4K503 0.0 27.8 0.4
C13 A:Q4K503 1.9 22.9 0.4
C01 A:Q4K503 1.9 10.2 0.3
C12 A:Q4K503 2.8 24.5 0.4
C15 A:Q4K503 2.8 23.0 0.4
C02 A:Q4K503 3.3 10.9 0.3
CE2 B:PHE134 3.6 32.3 1.0
CZ B:PHE134 3.6 34.4 1.0
CA B:VAL135 3.9 20.7 1.0
O03 A:Q4K503 4.0 11.1 0.3
CB B:SER138 4.1 19.0 1.0
N16 A:Q4K503 4.1 22.4 0.4
C11 A:Q4K503 4.1 24.2 0.4
CG2 B:VAL135 4.2 24.1 1.0
CD2 B:PHE134 4.2 29.3 1.0
CE1 B:PHE134 4.2 33.1 1.0
O B:PHE134 4.3 21.1 1.0
CB B:VAL135 4.4 20.7 1.0
CG1 B:VAL135 4.4 23.2 1.0
O B:VAL135 4.4 18.2 1.0
CG2 B:ILE139 4.5 25.8 1.0
C10 A:Q4K503 4.5 22.4 0.4
N B:VAL135 4.7 20.5 1.0
C B:VAL135 4.7 18.9 1.0
C B:PHE134 4.8 22.6 1.0
CG B:PHE134 4.8 28.2 1.0
CD1 B:PHE134 4.8 28.9 1.0
CD1 A:ILE109 4.8 35.0 1.0
OG B:SER138 4.8 22.3 1.0
CG2 A:ILE109 4.9 30.1 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Jul 11 00:56:15 2024

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