Atomistry » Chlorine » PDB 7jw4-7k9v » 7k5h
Atomistry »
  Chlorine »
    PDB 7jw4-7k9v »
      7k5h »

Chlorine in PDB 7k5h: 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66

Enzymatic activity of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66

All present enzymatic activity of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66:
1.16.3.1;

Protein crystallography data

The structure of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66, PDB code: 7k5h was solved by S.Lovell, K.P.Battaile, A.Soldano, A.Punchi-Hewage, K.Meraz, J.K.Annor-Gyamfi, H.Yao, R.A.Bunce, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.78 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 129.500, 194.495, 202.952, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 18.9

Other elements in 7k5h:

The structure of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66 also contains other interesting chemical elements:

Potassium (K) 3 atoms
Iron (Fe) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66 (pdb code 7k5h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66, PDB code: 7k5h:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7k5h

Go back to Chlorine Binding Sites List in 7k5h
Chlorine binding site 1 out of 4 in the 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:94.5
occ:1.00
CL14 B:VXV202 0.0 94.5 1.0
C13 B:VXV202 1.8 68.1 1.0
C12 B:VXV202 2.7 69.7 1.0
C15 B:VXV202 2.7 57.8 1.0
O B:HOH359 3.2 36.2 1.0
CD2 B:LEU68 3.8 46.2 1.0
CD2 B:LEU63 3.8 21.8 1.0
C11 B:VXV202 3.9 59.2 1.0
C16 B:VXV202 3.9 63.0 1.0
CE E:MET31 4.1 30.5 1.0
CG E:MET31 4.3 22.5 1.0
C18 B:VXV202 4.5 64.1 1.0
CZ2 E:TRP35 4.6 31.5 1.0
SD E:MET31 4.7 25.5 1.0
O B:GLY67 4.8 27.3 1.0
NE1 E:TRP35 4.9 37.2 1.0

Chlorine binding site 2 out of 4 in 7k5h

Go back to Chlorine Binding Sites List in 7k5h
Chlorine binding site 2 out of 4 in the 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:71.5
occ:1.00
CL14 C:VXV203 0.0 71.5 1.0
C13 C:VXV203 1.8 64.8 1.0
C15 C:VXV203 2.8 62.4 1.0
C12 C:VXV203 2.8 61.8 1.0
CD2 I:LEU68 3.5 49.3 1.0
CD2 I:LEU63 3.6 27.9 1.0
C16 C:VXV203 4.1 54.8 1.0
CE C:MET31 4.1 29.5 1.0
C11 C:VXV203 4.1 57.6 1.0
CG C:MET31 4.2 21.8 1.0
O I:GLY67 4.4 27.5 1.0
SD C:MET31 4.5 26.0 1.0
C18 C:VXV203 4.6 59.2 1.0
CG I:LEU68 4.9 43.7 1.0

Chlorine binding site 3 out of 4 in 7k5h

Go back to Chlorine Binding Sites List in 7k5h
Chlorine binding site 3 out of 4 in the 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl202

b:95.3
occ:1.00
CL14 F:VXV202 0.0 95.3 1.0
C13 F:VXV202 1.7 59.5 1.0
C12 F:VXV202 2.7 59.0 1.0
C15 F:VXV202 2.7 56.9 1.0
O F:HOH366 3.1 46.0 1.0
CD2 F:LEU63 3.7 21.8 1.0
C16 F:VXV202 3.9 70.9 1.0
CD2 F:LEU68 3.9 43.9 1.0
C11 F:VXV202 4.0 58.1 1.0
CG K:MET31 4.2 24.5 1.0
CE K:MET31 4.3 27.7 1.0
C18 F:VXV202 4.4 67.3 1.0
CZ2 K:TRP35 4.5 38.1 1.0
NE1 K:TRP35 4.6 37.0 1.0
SD K:MET31 4.7 26.3 1.0
O F:GLY67 4.7 23.0 1.0
CE2 K:TRP35 5.0 37.4 1.0

Chlorine binding site 4 out of 4 in 7k5h

Go back to Chlorine Binding Sites List in 7k5h
Chlorine binding site 4 out of 4 in the 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-66 within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl201

b:85.0
occ:1.00
CL14 K:VXV201 0.0 85.0 1.0
C13 K:VXV201 1.7 76.2 1.0
C15 K:VXV201 2.6 73.9 1.0
C12 K:VXV201 2.7 68.7 1.0
O K:HOH340 3.0 46.2 1.0
CD2 K:LEU68 3.4 51.6 1.0
CD2 K:LEU63 3.5 23.8 1.0
C16 K:VXV201 3.8 77.7 1.0
C11 K:VXV201 3.9 63.2 1.0
CE F:MET31 4.2 38.6 1.0
CG F:MET31 4.2 25.8 1.0
C18 K:VXV201 4.4 69.3 1.0
O K:GLY67 4.4 27.2 1.0
SD F:MET31 4.6 28.2 1.0
CG K:LEU68 4.8 35.1 1.0
O17 K:VXV201 5.0 88.5 1.0

Reference:

A.Soldano, H.Yao, A.N.D.Punchi Hewage, K.Meraz, J.K.Annor-Gyamfi, R.A.Bunce, K.P.Battaile, S.Lovell, M.Rivera. Small Molecule Inhibitors of the Bacterioferritin (Bfrb)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas Aeruginosa Cells. Acs Infect Dis. 2020.
ISSN: ESSN 2373-8227
PubMed: 33269912
DOI: 10.1021/ACSINFECDIS.0C00669
Page generated: Sun Jul 13 03:09:36 2025

Last articles

Gd in 6PP3
Gd in 6PP4
Gd in 6PP1
Gd in 6PP2
Gd in 6PP0
Gd in 6POZ
Gd in 6POY
Gd in 6POU
Gd in 6POW
Gd in 6POX
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy