Atomistry » Fluorine » PDB 8ez4-8fav » 8f4q
Atomistry »
  Fluorine »
    PDB 8ez4-8fav »
      8f4q »

Fluorine in PDB 8f4q: Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors

Enzymatic activity of Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors

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

Protein crystallography data

The structure of Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors, PDB code: 8f4q was solved by S.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.66 / 2.15
Space group P 64 2 2
Cell size a, b, c (Å), α, β, γ (°) 111.67, 111.67, 139.34, 90, 90, 120
R / Rfree (%) 23.4 / 27.1

Other elements in 8f4q:

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

Chlorine (Cl) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors (pdb code 8f4q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors, PDB code: 8f4q:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8f4q

Go back to Fluorine Binding Sites List in 8f4q
Fluorine binding site 1 out of 3 in the Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:79.7
occ:1.00
F12 A:XER404 0.0 79.7 1.0
C11 A:XER404 1.3 79.2 1.0
C1 A:XER404 2.4 78.7 1.0
S10 A:XER404 2.6 78.9 1.0
HC1 A:XER404 2.8 89.5 0.0
CD1 A:LEU68 3.1 76.8 1.0
C2 A:XER404 3.6 78.5 1.0
CA A:VAL125 3.7 89.5 1.0
CD1 A:LEU128 3.7 87.7 1.0
C3 A:XER404 3.7 78.6 1.0
CD1 A:LEU106 3.8 88.8 1.0
CG2 A:VAL125 3.8 90.5 1.0
CG1 A:VAL125 3.8 90.5 1.0
CB A:VAL125 4.0 90.0 1.0
CD2 A:LEU106 4.0 89.4 1.0
CB A:LEU128 4.1 86.3 1.0
O A:VAL125 4.3 89.0 1.0
CG A:LEU68 4.4 76.4 1.0
CG A:LEU106 4.5 88.6 1.0
CG A:LEU128 4.5 86.9 1.0
C A:VAL125 4.5 89.4 1.0
N A:VAL125 4.6 90.0 1.0
CB A:ALA174 4.8 72.7 1.0
CD2 A:LEU68 4.9 76.7 1.0
CB A:LEU68 4.9 75.0 1.0

Fluorine binding site 2 out of 3 in 8f4q

Go back to Fluorine Binding Sites List in 8f4q
Fluorine binding site 2 out of 3 in the Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F405

b:79.1
occ:1.00
F12 A:XER405 0.0 79.1 1.0
C11 A:XER405 1.3 78.2 1.0
C1 A:XER405 2.4 77.6 1.0
S10 A:XER405 2.6 77.4 1.0
HC1 A:XER405 2.8 73.0 0.0
O A:SER81 3.3 59.9 1.0
C2 A:XER405 3.6 77.0 1.0
CD1 A:LEU155 3.7 88.1 1.0
C3 A:XER405 3.7 76.7 1.0
C A:SER81 3.9 58.7 1.0
CA A:LEU82 4.2 57.0 1.0
CG A:LEU155 4.2 87.5 1.0
N A:LEU82 4.3 57.7 1.0
CB A:SER81 4.4 58.8 1.0
CD A:PRO83 4.5 57.2 1.0
CD2 A:LEU155 4.7 88.0 1.0
CA A:SER81 4.8 58.1 1.0
CD2 A:LEU82 4.9 56.2 1.0
C A:LEU82 4.9 57.6 1.0
N A:PRO83 5.0 57.5 1.0

Fluorine binding site 3 out of 3 in 8f4q

Go back to Fluorine Binding Sites List in 8f4q
Fluorine binding site 3 out of 3 in the Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Rat Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibtors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F406

b:89.7
occ:1.00
F12 A:XER406 0.0 89.7 1.0
C11 A:XER406 1.3 89.5 1.0
C1 A:XER406 2.4 89.5 1.0
S10 A:XER406 2.6 89.1 1.0
HC1 A:XER406 2.8 88.4 0.0
CA A:ALA208 3.4 73.2 1.0
CB A:ALA208 3.5 73.0 1.0
C2 A:XER406 3.6 89.7 1.0
CD1 A:LEU211 3.6 77.7 1.0
CE1 A:PHE207 3.7 76.1 1.0
C3 A:XER406 3.7 89.7 1.0
CD1 A:PHE207 3.9 75.2 1.0
CB A:LYS248 4.0 61.1 1.0
CG A:LEU211 4.2 77.3 1.0
N A:ALA208 4.3 73.2 1.0
CB A:LEU211 4.3 75.7 1.0
CA A:LYS248 4.4 58.2 1.0
O A:ALA208 4.4 72.8 1.0
O A:PRO244 4.4 60.1 1.0
C A:ALA208 4.5 73.4 1.0
O A:PHE207 4.5 74.1 1.0
N A:LYS248 4.7 57.4 1.0
C A:PHE207 4.7 73.7 1.0
CG A:LYS248 4.7 66.4 1.0
CZ A:PHE207 4.8 76.0 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: Wed Jul 16 04:07:22 2025

Last articles

Na in 3DDK
Na in 3DFH
Na in 3DEB
Na in 3DAV
Na in 3DDR
Na in 3DBO
Na in 3DC7
Na in 3D97
Na in 3DA9
Na in 3D9R
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy