Atomistry » Magnesium » PDB 8f0m-8f8t » 8f5s
Atomistry »
  Magnesium »
    PDB 8f0m-8f8t »
      8f5s »

Magnesium 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:

Potassium (K) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors, PDB code: 8f5s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 8f5s

Go back to Magnesium Binding Sites List in 8f5s
Magnesium binding site 1 out of 2 in the Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg 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:Mg402

b:64.4
occ:1.00
O3B A:ADP401 2.4 80.0 1.0
OD1 A:ASN249 2.5 65.6 1.0
O1A A:ADP401 2.6 76.7 1.0
OE1 A:GLU245 3.3 86.3 1.0
O A:HOH508 3.4 62.5 1.0
CG A:ASN249 3.5 65.2 1.0
PB A:ADP401 3.5 79.3 1.0
O3A A:ADP401 3.7 78.3 1.0
PA A:ADP401 3.7 77.3 1.0
ND2 A:ASN249 3.8 66.8 1.0
O1B A:ADP401 3.9 79.4 1.0
CA A:GLY339 3.9 72.7 1.0
O A:GLU245 3.9 62.8 1.0
O A:MET333 4.2 119.5 1.0
N A:GLY339 4.3 74.1 1.0
CD A:GLU245 4.5 83.6 1.0
CB A:GLU245 4.7 65.5 1.0
O2A A:ADP401 4.7 77.4 1.0
C A:GLU245 4.7 62.0 1.0
CA A:GLU245 4.7 62.6 1.0
CB A:ASN249 4.8 61.5 1.0
O2B A:ADP401 4.8 78.7 1.0
O5' A:ADP401 4.8 77.2 1.0
C A:GLY339 4.9 71.1 1.0
N A:ASN249 4.9 58.9 1.0

Magnesium binding site 2 out of 2 in 8f5s

Go back to Magnesium Binding Sites List in 8f5s
Magnesium binding site 2 out of 2 in the Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:153.1
occ:1.00
O1B B:ADP401 2.4 164.6 1.0
OD1 B:ASN249 2.5 162.8 1.0
O1A B:ADP401 2.6 165.1 1.0
OE1 B:GLU245 3.3 166.0 1.0
CG B:ASN249 3.4 161.8 1.0
PB B:ADP401 3.4 164.8 1.0
O3A B:ADP401 3.7 164.9 1.0
PA B:ADP401 3.7 165.0 1.0
ND2 B:ASN249 3.8 161.4 1.0
O2B B:ADP401 3.9 164.9 1.0
CA B:GLY339 3.9 148.4 1.0
O B:GLU245 3.9 156.0 1.0
N B:GLY339 4.3 148.9 1.0
CD B:GLU245 4.5 165.7 1.0
CB B:GLU245 4.6 157.4 1.0
O2A B:ADP401 4.7 165.0 1.0
C B:GLU245 4.7 155.8 1.0
CA B:GLU245 4.7 155.9 1.0
O5' B:ADP401 4.8 164.6 1.0
CB B:ASN249 4.8 160.1 1.0
O3B B:ADP401 4.8 164.8 1.0
C B:GLY339 4.9 147.5 1.0
N B:ASN249 4.9 159.5 1.0
NZ B:LYS248 5.0 175.8 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: Fri Oct 4 02:11:08 2024

Last articles

Zn in 1MC5
Zn in 1MFM
Zn in 1MA0
Zn in 1MED
Zn in 1MEA
Zn in 1MBX
Zn in 1MA3
Zn in 1M9O
Zn in 1M9R
Zn in 1M9Q
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy