Chlorine in PDB 7k5f: 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-50

Enzymatic activity of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-50

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-5-50:
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-5-50, PDB code: 7k5f 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) 48.61 / 1.95
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 129.582, 194.445, 203.310, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 22

Other elements in 7k5f:

The structure of 1.90 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-50 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-5-50 (pdb code 7k5f). 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-5-50, PDB code: 7k5f:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7k5f

Go back to Chlorine Binding Sites List in 7k5f
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-5-50


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-5-50 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl203

b:90.0
occ:1.00
 CL12 D:VXP203 0.0 90.0 1.0
C11 D:VXP203 1.7 70.6 1.0
C13 D:VXP203 2.7 58.4 1.0
C10 D:VXP203 2.7 67.6 1.0
C14 D:VXP203 4.0 57.2 1.0
C09 D:VXP203 4.0 49.7 1.0
C16 D:VXP203 4.5 46.3 1.0
CD1 D:LEU68 4.7 54.0 1.0

Chlorine binding site 2 out of 4 in 7k5f

Go back to Chlorine Binding Sites List in 7k5f
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-5-50


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-5-50 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:79.5
occ:1.00
 CL12 E:VXP201 0.0 79.5 1.0
C11 E:VXP201 1.7 67.5 1.0
C13 E:VXP201 2.7 62.6 1.0
C10 E:VXP201 2.7 54.2 1.0
C14 E:VXP201 4.0 62.4 1.0
C09 E:VXP201 4.0 50.0 1.0
CD2 E:LEU68 4.3 48.0 1.0
CD1 E:LEU68 4.3 51.0 1.0
C16 E:VXP201 4.5 44.9 1.0
OE1 B:GLU81 4.6 59.3 1.0
CG E:LEU68 4.8 48.9 1.0
CD B:GLU81 4.8 44.5 1.0

Chlorine binding site 3 out of 4 in 7k5f

Go back to Chlorine Binding Sites List in 7k5f
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-5-50


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-5-50 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl201

b:92.2
occ:1.00
 CL12 H:VXP201 0.0 92.2 1.0
C11 H:VXP201 1.6 72.4 1.0
C13 H:VXP201 2.4 78.0 1.0
C10 H:VXP201 2.5 76.1 1.0
C14 H:VXP201 3.7 75.1 1.0
C09 H:VXP201 3.7 59.7 1.0
OE2 J:GLU81 4.0 70.6 1.0
CD1 H:LEU68 4.1 48.4 1.0
C16 H:VXP201 4.2 55.0 1.0
CD2 H:LEU68 4.3 39.8 1.0
CD J:GLU81 4.5 63.9 1.0
O15 H:VXP201 4.6 54.1 1.0
CG H:LEU68 4.8 43.6 1.0
C08 H:VXP201 4.9 52.0 1.0
CG J:GLU81 4.9 53.6 1.0

Chlorine binding site 4 out of 4 in 7k5f

Go back to Chlorine Binding Sites List in 7k5f
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-5-50


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-5-50 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl202

b:0.9
occ:1.00
 CL12 J:VXP202 0.0 0.9 1.0
C11 J:VXP202 1.5 95.3 1.0
C10 J:VXP202 2.4 85.2 1.0
C13 J:VXP202 2.5 85.0 1.0
C09 J:VXP202 3.6 67.2 1.0
C14 J:VXP202 3.7 66.1 1.0
OE1 H:GLU81 3.7 57.3 1.0
C16 J:VXP202 4.2 58.0 1.0
CD H:GLU81 4.2 59.6 1.0
CD1 J:LEU68 4.5 44.4 1.0
C08 J:VXP202 4.7 63.4 1.0
CG H:GLU81 4.7 49.5 1.0
O15 J:VXP202 4.7 54.4 1.0
OE2 H:GLU81 4.8 54.4 1.0
CD2 J:LEU68 4.9 40.8 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: Mon Jul 29 23:22:18 2024

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