Atomistry » Bromine » PDB 5s9u-5t6s » 5so4
Atomistry »
  Bromine »
    PDB 5s9u-5t6s »
      5so4 »

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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy