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Potassium in PDB 7k5g: 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28

Enzymatic activity of 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28

All present enzymatic activity of 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28:
1.16.3.1;

Protein crystallography data

The structure of 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28, PDB code: 7k5g 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) 46.75 / 1.95
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 129.739, 194.791, 202.343, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 19.3

Other elements in 7k5g:

The structure of 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28 also contains other interesting chemical elements:

Iron (Fe) 7 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28 (pdb code 7k5g). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28, PDB code: 7k5g:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in 7k5g

Go back to Potassium Binding Sites List in 7k5g
Potassium binding site 1 out of 3 in the 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K201

b:20.7
occ:1.00
OE1 K:GLN151 2.8 22.0 1.0
OE1 E:GLN151 2.9 20.7 1.0
OE1 A:GLN151 2.9 22.4 1.0
OD1 J:ASN148 2.9 20.0 1.0
OD1 A:ASN148 2.9 18.8 1.0
OE1 J:GLN151 3.0 19.4 1.0
OD1 K:ASN148 3.0 20.9 1.0
OD1 E:ASN148 3.0 18.7 1.0
CG A:ASN148 3.7 24.9 1.0
CG E:ASN148 3.7 20.7 1.0
CG J:ASN148 3.7 21.3 1.0
CG K:ASN148 3.8 25.0 1.0
CD K:GLN151 3.8 21.8 1.0
CD E:GLN151 3.8 21.5 1.0
CD A:GLN151 3.9 25.7 1.0
CD J:GLN151 3.9 25.1 1.0
NE2 K:GLN151 4.0 21.2 1.0
NE2 E:GLN151 4.1 22.0 1.0
NE2 A:GLN151 4.1 23.1 1.0
ND2 K:ASN148 4.1 23.9 1.0
ND2 J:ASN148 4.1 19.1 1.0
ND2 A:ASN148 4.1 24.6 1.0
ND2 E:ASN148 4.1 21.7 1.0
NE2 J:GLN151 4.1 21.6 1.0
CB E:ASN148 4.8 19.3 1.0
CB A:ASN148 4.9 16.6 1.0
CB J:ASN148 4.9 22.3 1.0
CB K:ASN148 5.0 21.4 1.0

Potassium binding site 2 out of 3 in 7k5g

Go back to Potassium Binding Sites List in 7k5g
Potassium binding site 2 out of 3 in the 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K201

b:21.9
occ:1.00
OE1 B:GLN151 2.9 19.3 1.0
OE1 G:GLN151 2.9 20.4 1.0
OE1 L:GLN151 2.9 17.9 1.0
OD1 C:ASN148 2.9 21.3 1.0
OD1 G:ASN148 2.9 21.1 1.0
OE1 C:GLN151 2.9 22.4 1.0
OD1 L:ASN148 2.9 20.7 1.0
OD1 B:ASN148 3.0 22.7 1.0
CG L:ASN148 3.7 25.0 1.0
CG B:ASN148 3.7 27.9 1.0
CG G:ASN148 3.7 24.4 1.0
CG C:ASN148 3.8 23.7 1.0
CD L:GLN151 3.8 16.4 1.0
CD B:GLN151 3.8 22.9 1.0
CD G:GLN151 3.8 21.9 1.0
CD C:GLN151 3.9 24.9 1.0
NE2 L:GLN151 4.0 22.4 1.0
ND2 B:ASN148 4.0 26.2 1.0
ND2 L:ASN148 4.1 23.1 1.0
NE2 G:GLN151 4.1 21.2 1.0
NE2 B:GLN151 4.1 21.0 1.0
ND2 G:ASN148 4.1 23.9 1.0
NE2 C:GLN151 4.1 25.4 1.0
ND2 C:ASN148 4.2 26.2 1.0
CB G:ASN148 4.8 20.4 1.0
CB B:ASN148 4.9 23.6 1.0
CB L:ASN148 4.9 21.9 1.0
CB C:ASN148 4.9 20.9 1.0

Potassium binding site 3 out of 3 in 7k5g

Go back to Potassium Binding Sites List in 7k5g
Potassium binding site 3 out of 3 in the 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of 1.95 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Km-5-28 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K201

b:22.4
occ:1.00
OE1 F:GLN151 2.9 19.9 1.0
OD1 D:ASN148 2.9 22.0 1.0
OE1 I:GLN151 2.9 22.8 1.0
OE1 D:GLN151 2.9 21.0 1.0
OD1 F:ASN148 2.9 20.9 1.0
OD1 I:ASN148 3.0 23.0 1.0
CG F:ASN148 3.7 26.6 1.0
CG I:ASN148 3.7 27.0 1.0
CG D:ASN148 3.7 23.1 1.0
CD F:GLN151 3.8 22.2 1.0
CD I:GLN151 3.8 23.6 1.0
CD D:GLN151 3.9 24.0 1.0
ND2 I:ASN148 4.0 26.7 1.0
ND2 F:ASN148 4.0 23.0 1.0
NE2 I:GLN151 4.0 25.0 1.0
NE2 F:GLN151 4.1 19.5 1.0
NE2 D:GLN151 4.1 22.0 1.0
ND2 D:ASN148 4.1 26.2 1.0
CB F:ASN148 4.8 17.9 1.0
CB D:ASN148 4.9 22.4 1.0
CB I:ASN148 4.9 20.6 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: Sat Aug 9 13:30:11 2025

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