Potassium in PDB 6nlf: 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa

All present enzymatic activity of 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa:
1.16.3.1;

The structure of 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa, PDB code: 6nlf was solved by S.Lovell, A.Punchi-Hewage, K.P.Battaile, H.Yao, B.Nammalwar, K.K.Gnanasekaran, R.A.Bunce, A.B.Reitz, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.18 / 1.45
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	129.727, 197.772, 204.235, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 16.5

The binding sites of Potassium atom in the 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa (pdb code 6nlf). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa, PDB code: 6nlf:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:K201 b:10.1 occ:1.00 OE1 A:GLN151 2.8 11.6 1.0 OE1 K:GLN151 2.9 10.4 1.0 OE1 E:GLN151 2.9 11.2 1.0 OE1 J:GLN151 2.9 10.6 1.0 OD1 E:ASN148 2.9 10.6 1.0 OD1 J:ASN148 2.9 10.5 1.0 OD1 K:ASN148 2.9 10.6 1.0 OD1 A:ASN148 2.9 10.5 1.0 O E:HOH347 3.4 24.2 1.0 CG E:ASN148 3.7 9.4 1.0 CG A:ASN148 3.7 10.8 1.0 CG K:ASN148 3.7 11.3 1.0 CG J:ASN148 3.8 10.8 1.0 CD A:GLN151 3.8 10.6 1.0 CD E:GLN151 3.8 10.8 1.0 CD K:GLN151 3.8 9.3 1.0 CD J:GLN151 3.9 8.9 1.0 NE2 E:GLN151 4.0 12.2 1.0 NE2 A:GLN151 4.0 11.4 1.0 ND2 E:ASN148 4.0 10.7 1.0 NE2 K:GLN151 4.1 9.9 1.0 ND2 A:ASN148 4.1 12.1 1.0 ND2 K:ASN148 4.1 11.3 1.0 NE2 J:GLN151 4.1 10.8 1.0 ND2 J:ASN148 4.1 11.5 1.0 CB E:ASN148 4.9 9.3 1.0 CB K:ASN148 4.9 9.0 1.0 CB A:ASN148 4.9 11.0 1.0 CB J:ASN148 4.9 10.4 1.0

Potassium binding site 2 out of 3 in the 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:K201 b:10.9 occ:1.00 OE1 G:GLN151 2.9 11.4 1.0 OE1 L:GLN151 2.9 11.6 1.0 OE1 B:GLN151 2.9 11.1 1.0 OE1 C:GLN151 2.9 10.7 1.0 OD1 B:ASN148 2.9 12.2 1.0 OD1 L:ASN148 2.9 11.6 1.0 OD1 G:ASN148 2.9 10.7 1.0 OD1 C:ASN148 2.9 11.8 1.0 CG B:ASN148 3.7 12.6 1.0 CG L:ASN148 3.7 13.0 1.0 CG G:ASN148 3.7 12.0 1.0 CG C:ASN148 3.7 12.1 1.0 O C:HOH344 3.8 40.9 1.0 CD L:GLN151 3.8 10.6 1.0 CD G:GLN151 3.8 9.7 1.0 CD B:GLN151 3.8 10.8 1.0 CD C:GLN151 3.9 10.2 1.0 NE2 L:GLN151 4.1 11.5 1.0 ND2 L:ASN148 4.1 11.4 1.0 NE2 G:GLN151 4.1 11.6 1.0 ND2 B:ASN148 4.1 12.0 1.0 NE2 B:GLN151 4.1 12.0 1.0 NE2 C:GLN151 4.1 11.9 1.0 ND2 G:ASN148 4.1 13.4 1.0 ND2 C:ASN148 4.1 13.1 1.0 O B:HOH462 4.4 33.9 1.0 O L:HOH319 4.6 40.0 1.0 CB G:ASN148 4.9 11.5 1.0 CB B:ASN148 4.9 9.8 1.0 CB L:ASN148 4.9 11.2 1.0 CB C:ASN148 4.9 11.2 1.0

Potassium binding site 3 out of 3 in the 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of 1.45 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ D:K201 b:11.2 occ:1.00 OE1 F:GLN151 2.9 11.0 1.0 OD1 I:ASN148 2.9 11.7 1.0 OE1 I:GLN151 2.9 11.9 1.0 OE1 D:GLN151 2.9 11.2 1.0 OD1 D:ASN148 2.9 11.9 1.0 OD1 F:ASN148 2.9 11.8 1.0 CG I:ASN148 3.7 11.1 1.0 CG D:ASN148 3.7 10.5 1.0 CG F:ASN148 3.7 11.7 1.0 CD D:GLN151 3.9 11.6 1.0 CD F:GLN151 3.9 10.0 1.0 CD I:GLN151 3.9 11.5 1.0 ND2 D:ASN148 4.1 11.9 1.0 NE2 D:GLN151 4.1 11.7 1.0 ND2 I:ASN148 4.1 11.8 1.0 NE2 F:GLN151 4.1 11.6 1.0 ND2 F:ASN148 4.1 11.5 1.0 NE2 I:GLN151 4.1 11.7 1.0 CB D:ASN148 4.9 10.8 1.0 CB F:ASN148 4.9 10.2 1.0 CB I:ASN148 4.9 12.0 1.0

A.N.D.Punchi Hewage, H.Yao, B.Nammalwar, K.K.Gnanasekaran, S.Lovell, R.A.Bunce, K.Eshelman, S.M.Phaniraj, M.M.Lee, B.R.Peterson, K.P.Battaile, A.B.Reitz, M.Rivera. Small Molecule Inhibitors of the Bfrb-Bfd Interaction Decrease Pseudomonas Aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc. V. 141 8171 2019.
ISSN: ESSN 1520-5126
PubMed: 31038945
DOI: 10.1021/JACS.9B00394