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Chlorine in PDB 5snj: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418:
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 Z906021418, PDB code: 5snj 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) 84.29 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 138.134, 65.543, 84.434, 90, 93.35, 90
R / Rfree (%) 18.4 / 22.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418 (pdb code 5snj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418, PDB code: 5snj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5snj

Go back to Chlorine Binding Sites List in 5snj
Chlorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:37.9
occ:0.69
 CL B:K2G601 0.0 37.9 0.7
C5 B:K2G601 1.7 35.5 0.7
C4 B:K2G601 2.6 36.6 0.7
C6 B:K2G601 2.7 35.1 0.7
N2 B:K2G601 3.1 33.7 0.7
C7 B:K2G601 3.1 33.6 0.7
CG2 A:ILE149 3.2 19.7 1.0
CE1 A:HIS150 3.6 38.6 1.0
O A:HOH602 3.8 53.2 1.0
NE2 A:HIS150 3.8 33.1 1.0
N B:K2G601 3.9 36.9 0.7
CD1 A:PHE146 3.9 26.1 1.0
CB A:ILE149 3.9 18.0 1.0
N1 B:K2G601 4.0 37.2 0.7
O B:K2G601 4.1 31.8 0.7
ND1 A:HIS150 4.1 32.2 1.0
C3 B:K2G601 4.4 38.0 0.7
CE1 A:PHE146 4.4 27.1 1.0
CD2 A:HIS150 4.4 32.5 1.0
CD1 A:ILE149 4.5 17.6 1.0
CG A:HIS150 4.6 29.6 1.0
OE2 A:GLU67 4.6 43.7 0.7
CG1 A:ILE149 4.8 18.8 1.0
O A:PHE146 4.9 17.9 1.0
CD A:GLU67 5.0 44.2 0.7
N A:HIS150 5.0 19.1 1.0

Chlorine binding site 2 out of 3 in 5snj

Go back to Chlorine Binding Sites List in 5snj
Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:32.5
occ:0.72
 CL B:K2G602 0.0 32.5 0.7
C5 B:K2G602 1.7 31.0 0.7
C6 B:K2G602 2.7 31.4 0.7
C4 B:K2G602 2.8 31.8 0.7
O B:K2G602 2.8 27.2 0.7
O B:HOH785 2.8 37.8 1.0
C7 B:K2G602 3.1 28.5 0.7
O B:HOH834 3.6 28.2 1.0
CG B:GLN84 3.9 14.4 1.0
CB B:ASP20 3.9 18.2 1.0
CD B:GLN84 3.9 15.8 1.0
NH2 B:ARG87 4.0 35.3 1.0
N1 B:K2G602 4.0 32.2 0.7
N B:K2G602 4.1 30.7 0.7
OD2 B:ASP20 4.2 28.9 1.0
NE2 B:GLN84 4.2 15.5 1.0
OE1 B:GLN84 4.2 16.1 1.0
O B:HOH788 4.3 17.0 1.0
N2 B:K2G602 4.3 27.4 0.7
C4 B:K2G603 4.4 36.5 0.7
CL B:K2G603 4.4 36.0 0.7
C3 B:K2G602 4.5 32.2 0.7
CG B:ASP20 4.5 23.2 1.0
O B:HOH849 4.6 23.9 1.0
OH B:TYR62 4.8 16.0 1.0
CB B:GLN84 4.8 14.6 1.0
C5 B:K2G603 4.8 35.6 0.7

Chlorine binding site 3 out of 3 in 5snj

Go back to Chlorine Binding Sites List in 5snj
Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:36.0
occ:0.72
 CL B:K2G603 0.0 36.0 0.7
C5 B:K2G603 1.7 35.6 0.7
C6 B:K2G603 2.6 36.4 0.7
C4 B:K2G603 2.7 36.5 0.7
N2 B:K2G603 2.8 35.1 0.7
C7 B:K2G603 3.0 35.4 0.7
C4 B:K2G602 3.7 31.8 0.7
C5 B:K2G602 3.9 31.0 0.7
N1 B:K2G603 3.9 37.5 0.7
N B:K2G603 4.0 38.1 0.7
O B:K2G603 4.0 32.3 0.7
N B:K2G602 4.1 30.7 0.7
C3 B:K2G603 4.4 38.8 0.7
C6 B:K2G602 4.4 31.4 0.7
CL B:K2G602 4.4 32.5 0.7
C3 B:K2G602 4.6 32.2 0.7
N1 B:K2G602 4.8 32.2 0.7

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Fri Jul 26 17:02:11 2024

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