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Potassium in PDB 7k5e: 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7

Enzymatic activity of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7

All present enzymatic activity of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7:
1.16.3.1;

Protein crystallography data

The structure of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7, PDB code: 7k5e 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) 41.36 / 1.75
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 129.852, 194.284, 203.140, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 21.3

Other elements in 7k5e:

The structure of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Iron (Fe) 7 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 (pdb code 7k5e). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7, PDB code: 7k5e:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in 7k5e

Go back to Potassium Binding Sites List in 7k5e
Potassium binding site 1 out of 3 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K201

b:17.2
occ:1.00
OD1 E:ASN148 2.8 17.7 1.0
OE1 A:GLN151 2.8 20.6 1.0
OE1 K:GLN151 2.9 19.7 1.0
OD1 J:ASN148 2.9 19.4 1.0
OD1 K:ASN148 2.9 18.8 1.0
OE1 J:GLN151 2.9 19.5 1.0
OE1 E:GLN151 2.9 18.6 1.0
OD1 A:ASN148 2.9 20.2 1.0
CG E:ASN148 3.7 20.1 1.0
CG K:ASN148 3.7 20.5 1.0
CG J:ASN148 3.7 18.3 1.0
CG A:ASN148 3.7 20.6 1.0
CD K:GLN151 3.8 19.8 1.0
CD A:GLN151 3.8 20.2 1.0
CD J:GLN151 3.9 22.3 1.0
CD E:GLN151 3.9 20.8 1.0
O K:HOH287 3.9 39.5 1.0
ND2 A:ASN148 4.0 22.5 1.0
ND2 K:ASN148 4.0 20.1 1.0
NE2 K:GLN151 4.0 18.7 1.0
ND2 J:ASN148 4.1 20.0 1.0
ND2 E:ASN148 4.1 19.9 1.0
NE2 A:GLN151 4.1 19.7 1.0
NE2 J:GLN151 4.1 18.9 1.0
NE2 E:GLN151 4.1 18.9 1.0
CB J:ASN148 4.9 17.0 1.0
CB E:ASN148 4.9 20.4 1.0
CB K:ASN148 4.9 14.3 1.0
CB A:ASN148 4.9 17.5 1.0

Potassium binding site 2 out of 3 in 7k5e

Go back to Potassium Binding Sites List in 7k5e
Potassium binding site 2 out of 3 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K201

b:24.8
occ:1.00
OD1 L:ASN148 2.8 26.3 1.0
OD1 G:ASN148 2.8 26.4 1.0
OE1 G:GLN151 2.9 25.4 1.0
OD1 B:ASN148 2.9 25.6 1.0
OE1 L:GLN151 2.9 29.2 1.0
OE1 C:GLN151 2.9 30.3 1.0
OE1 B:GLN151 3.0 25.2 1.0
OD1 C:ASN148 3.0 23.1 1.0
CG L:ASN148 3.6 27.9 1.0
CG B:ASN148 3.7 29.8 1.0
CG G:ASN148 3.7 24.8 1.0
CG C:ASN148 3.8 22.1 1.0
CD G:GLN151 3.8 25.4 1.0
CD L:GLN151 3.9 27.7 1.0
CD C:GLN151 3.9 24.5 1.0
CD B:GLN151 3.9 25.6 1.0
ND2 L:ASN148 4.0 33.1 1.0
NE2 G:GLN151 4.0 27.1 1.0
ND2 B:ASN148 4.0 27.9 1.0
ND2 C:ASN148 4.0 29.4 1.0
NE2 C:GLN151 4.1 25.7 1.0
ND2 G:ASN148 4.1 26.8 1.0
NE2 B:GLN151 4.1 24.1 1.0
NE2 L:GLN151 4.1 25.3 1.0
CB L:ASN148 4.8 26.9 1.0
CB G:ASN148 4.9 25.1 1.0
CB B:ASN148 4.9 27.4 1.0
CB C:ASN148 5.0 25.3 1.0

Potassium binding site 3 out of 3 in 7k5e

Go back to Potassium Binding Sites List in 7k5e
Potassium binding site 3 out of 3 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K201

b:18.7
occ:1.00
OD1 D:ASN148 2.8 23.8 1.0
OD1 F:ASN148 2.9 22.5 1.0
OD1 I:ASN148 2.9 23.1 1.0
OE1 D:GLN151 2.9 21.8 1.0
OE1 F:GLN151 2.9 22.7 1.0
OE1 I:GLN151 2.9 24.2 1.0
CG D:ASN148 3.7 19.5 1.0
CG F:ASN148 3.7 21.9 1.0
CG I:ASN148 3.7 17.8 1.0
CD D:GLN151 3.8 25.2 1.0
CD I:GLN151 3.9 20.4 1.0
CD F:GLN151 3.9 20.1 1.0
ND2 F:ASN148 4.0 26.4 1.0
ND2 D:ASN148 4.0 23.4 1.0
NE2 D:GLN151 4.1 21.9 1.0
NE2 I:GLN151 4.1 22.1 1.0
NE2 F:GLN151 4.1 22.6 1.0
ND2 I:ASN148 4.1 20.4 1.0
CB F:ASN148 4.9 23.1 1.0
CB D:ASN148 4.9 23.1 1.0
CB I:ASN148 4.9 19.4 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 Aug 12 19:13:09 2024

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