Potassium in PDB 6nlj: 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12)

Enzymatic activity of 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12)

All present enzymatic activity of 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12):
1.16.3.1;

Protein crystallography data

The structure of 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12), PDB code: 6nlj 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) 44.09 / 1.65
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 129.291, 195.014, 203.220, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 17.8

Potassium Binding Sites:

The binding sites of Potassium atom in the 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12) (pdb code 6nlj). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12), PDB code: 6nlj:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in 6nlj

Go back to Potassium Binding Sites List in 6nlj
Potassium binding site 1 out of 3 in the 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K201

b:18.0
occ:1.00
 OD1 E:ASN148 2.8 17.8 1.0
OE1 K:GLN151 2.9 19.2 1.0
OD1 K:ASN148 2.9 17.6 1.0
OE1 J:GLN151 2.9 18.1 1.0
OE1 A:GLN151 2.9 19.5 1.0
OE1 E:GLN151 2.9 17.5 1.0
OD1 J:ASN148 2.9 18.6 1.0
OD1 A:ASN148 3.0 18.8 1.0
CG E:ASN148 3.6 16.6 1.0
CG K:ASN148 3.7 18.8 1.0
CG J:ASN148 3.7 17.2 1.0
CG A:ASN148 3.7 17.4 1.0
CD K:GLN151 3.8 17.3 1.0
CD J:GLN151 3.8 18.2 1.0
CD A:GLN151 3.8 22.6 1.0
CD E:GLN151 3.9 19.2 1.0
ND2 E:ASN148 4.0 20.8 1.0
NE2 K:GLN151 4.0 18.4 1.0
ND2 A:ASN148 4.0 21.6 1.0
NE2 A:GLN151 4.1 17.8 1.0
NE2 J:GLN151 4.1 20.6 1.0
ND2 J:ASN148 4.1 18.7 1.0
NE2 E:GLN151 4.1 20.1 1.0
ND2 K:ASN148 4.1 19.0 1.0
CB K:ASN148 4.8 16.8 1.0
CB E:ASN148 4.9 16.6 1.0
CB J:ASN148 4.9 17.9 1.0
CB A:ASN148 4.9 17.2 1.0

Potassium binding site 2 out of 3 in 6nlj

Go back to Potassium Binding Sites List in 6nlj
Potassium binding site 2 out of 3 in the 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K201

b:19.0
occ:1.00
 OD1 B:ASN148 2.8 20.2 1.0
OD1 G:ASN148 2.9 18.3 1.0
OD1 L:ASN148 2.9 20.8 1.0
OE1 G:GLN151 2.9 19.8 1.0
OE1 L:GLN151 2.9 19.0 1.0
OE1 C:GLN151 2.9 20.8 1.0
OE1 B:GLN151 2.9 18.6 1.0
OD1 C:ASN148 2.9 20.1 1.0
CG B:ASN148 3.7 20.3 1.0
CG L:ASN148 3.7 19.7 1.0
CG G:ASN148 3.7 18.6 1.0
CG C:ASN148 3.7 20.8 1.0
CD G:GLN151 3.9 19.2 1.0
CD B:GLN151 3.9 21.2 1.0
CD C:GLN151 3.9 20.1 1.0
CD L:GLN151 3.9 21.9 1.0
ND2 B:ASN148 4.0 21.0 1.0
ND2 G:ASN148 4.0 21.9 1.0
ND2 L:ASN148 4.1 21.4 1.0
ND2 C:ASN148 4.1 22.3 1.0
NE2 B:GLN151 4.1 20.7 1.0
NE2 G:GLN151 4.1 19.7 1.0
NE2 C:GLN151 4.1 19.4 1.0
NE2 L:GLN151 4.1 20.7 1.0
CB L:ASN148 4.9 19.8 1.0
CB G:ASN148 4.9 17.5 1.0
CB B:ASN148 4.9 20.1 1.0
CB C:ASN148 4.9 18.6 1.0

Potassium binding site 3 out of 3 in 6nlj

Go back to Potassium Binding Sites List in 6nlj
Potassium binding site 3 out of 3 in the 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of 1.65 A Resolution Structure of Apo Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor (Analog 12) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K202

b:17.8
occ:1.00
 OD1 D:ASN148 2.9 18.3 1.0
OD1 I:ASN148 2.9 19.8 1.0
OD1 F:ASN148 2.9 19.2 1.0
OE1 D:GLN151 2.9 17.3 1.0
OE1 F:GLN151 2.9 17.5 1.0
OE1 I:GLN151 2.9 19.2 1.0
CG I:ASN148 3.7 16.4 1.0
CG D:ASN148 3.7 18.7 1.0
CG F:ASN148 3.7 18.3 1.0
CD F:GLN151 3.9 19.6 1.0
CD D:GLN151 3.9 19.1 1.0
CD I:GLN151 3.9 17.2 1.0
ND2 I:ASN148 4.0 20.6 1.0
ND2 D:ASN148 4.0 19.5 1.0
ND2 F:ASN148 4.1 19.3 1.0
NE2 D:GLN151 4.1 18.3 1.0
NE2 F:GLN151 4.1 20.1 1.0
NE2 I:GLN151 4.1 18.4 1.0
CB F:ASN148 4.9 18.6 1.0
CB I:ASN148 4.9 19.4 1.0
CB D:ASN148 4.9 19.3 1.0

Reference:

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
Page generated: Mon Dec 14 01:00:11 2020

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