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Potassium in PDB 4e01: Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp

Enzymatic activity of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp

All present enzymatic activity of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp:
2.7.11.4;

Protein crystallography data

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp, PDB code: 4e01 was solved by S.C.Tso, J.L.Chuang, W.J.Gui, R.M.Wynn, J.Li, D.T.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.25 / 1.97
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 127.277, 127.277, 73.994, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22

Other elements in 4e01:

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp (pdb code 4e01). 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 Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp, PDB code: 4e01:

Potassium binding site 1 out of 1 in 4e01

Go back to Potassium Binding Sites List in 4e01
Potassium binding site 1 out of 1 in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/3,6-Dichlorobenzo[B]Thiophene-2-Carboxylic Acid Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K403

b:37.0
occ:1.00
 O A:ASP300 2.8 30.9 1.0
O A:VAL298 2.8 33.2 1.0
O1A A:ANP404 2.9 32.2 1.0
O A:PHE303 2.9 37.1 1.0
O A:GLY337 2.9 32.6 1.0
C A:GLY337 3.6 33.3 1.0
CD A:PRO341 3.6 27.1 1.0
C5' A:ANP404 3.7 34.6 1.0
C A:PHE303 3.9 41.6 1.0
C A:VAL298 3.9 39.9 1.0
PA A:ANP404 3.9 32.8 1.0
C A:ASP300 3.9 39.2 1.0
N A:PHE303 4.0 43.1 1.0
CA A:GLY337 4.0 35.9 1.0
O3A A:ANP404 4.0 34.8 1.0
CG A:PRO341 4.1 31.6 1.0
CB A:PHE303 4.2 42.6 1.0
CA A:PHE303 4.2 43.2 1.0
O5' A:ANP404 4.2 34.3 1.0
N A:ASP300 4.3 39.1 1.0
N A:PHE338 4.5 36.0 1.0
CA A:VAL298 4.5 38.5 1.0
O A:ARG297 4.6 38.1 1.0
C A:MET299 4.7 37.6 1.0
CD2 A:PHE303 4.7 41.7 1.0
N A:HIS302 4.7 34.2 1.0
CA A:ASP300 4.7 37.5 1.0
N A:TYR301 4.8 34.0 1.0
CA A:TYR301 4.8 34.4 1.0
N A:MET299 4.8 33.4 1.0
CB A:LEU340 4.9 31.1 1.0
C A:TYR301 4.9 35.4 1.0
CA A:MET299 4.9 34.4 1.0
CA A:PHE338 4.9 31.3 1.0
CG A:PHE303 5.0 44.4 1.0
C4' A:ANP404 5.0 39.7 1.0
C A:HIS302 5.0 45.9 1.0
N A:PRO341 5.0 26.6 1.0

Reference:

S.C.Tso, J.L.Chuang, W.J.Gui, R.M.Wynn, J.Li, D.T.Chuang. Structures of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase-Inhibitor Complexes To Be Published.
Page generated: Mon Aug 12 10:33:29 2024

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