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Potassium in PDB 8f5s: Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors

Enzymatic activity of Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors

All present enzymatic activity of Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors:
2.7.11.4;

Protein crystallography data

The structure of Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors, PDB code: 8f5s was solved by S.Liu, R.Roth Flach, E.Bollinger, K.Filipski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 117.77 / 2.79
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 117.767, 117.767, 154.773, 90, 90, 90
R / Rfree (%) 25.7 / 29.7

Other elements in 8f5s:

The structure of Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors (pdb code 8f5s). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors, PDB code: 8f5s:

Potassium binding site 1 out of 1 in 8f5s

Go back to Potassium Binding Sites List in 8f5s
Potassium binding site 1 out of 1 in the Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K403

b:184.7
occ:1.00
 O A:VAL298 2.4 85.9 1.0
O2A A:ADP401 2.7 77.4 1.0
O A:PHE303 3.2 83.9 1.0
C5' A:ADP401 3.2 76.7 1.0
O A:ASP300 3.2 84.4 1.0
CD A:PRO341 3.4 68.3 1.0
O A:GLY337 3.4 83.3 1.0
C A:VAL298 3.5 85.6 1.0
PA A:ADP401 3.7 77.3 1.0
O5' A:ADP401 3.8 77.2 1.0
C A:GLY337 3.8 83.9 1.0
CA A:GLY337 4.0 87.7 1.0
CG A:PRO341 4.1 70.2 1.0
CB A:LEU340 4.2 68.2 1.0
CA A:VAL298 4.2 86.6 1.0
C A:PHE303 4.2 84.0 1.0
O3A A:ADP401 4.3 78.3 1.0
C A:ASP300 4.3 83.9 1.0
N A:ASP300 4.3 83.1 1.0
N A:MET299 4.5 84.3 1.0
C4' A:ADP401 4.5 76.1 1.0
CB A:PHE303 4.5 83.8 1.0
N A:PHE303 4.6 83.9 1.0
O A:ARG297 4.6 90.3 1.0
CA A:MET299 4.6 83.5 1.0
N A:LEU340 4.6 69.8 1.0
N A:PRO341 4.6 68.6 1.0
C A:MET299 4.7 83.4 1.0
CA A:PHE303 4.7 83.9 1.0
N A:PHE338 4.7 81.4 1.0
CD1 A:LEU340 4.8 68.6 1.0
CA A:LEU340 4.9 69.0 1.0
CD2 A:PHE303 4.9 85.1 1.0
CG A:LEU340 5.0 68.4 1.0
CA A:ASP300 5.0 83.9 1.0

Reference:

R.Roth Flach, K.Filipski, E.Bollinger. Discovery of Branched-Chain Ketoacid Dehydrogenase Kinase (Bdk) Inhibitors Acting As Stabilizers or Destabilizers To Be Published.
Page generated: Mon Aug 12 23:39:38 2024

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