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Potassium in PDB 7odb: Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Triazine-Derivative

Protein crystallography data

The structure of Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Triazine-Derivative, PDB code: 7odb was solved by M.Zehe, C.Grimm, C.Sotriffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.61 / 1.66
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.611, 50.221, 86.679, 90, 100.01, 90
R / Rfree (%) 20 / 20.8

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Triazine-Derivative (pdb code 7odb). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Triazine-Derivative, PDB code: 7odb:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 7odb

Go back to Potassium Binding Sites List in 7odb
Potassium binding site 1 out of 2 in the Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Triazine-Derivative


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 Bovine HSC70(AA1-554)E213A/D214A in Complex with Triazine-Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K902

b:30.2
occ:1.00
O A:THR204 2.7 21.9 1.0
O A:HOH1362 2.8 30.4 1.0
OD1 A:ASP199 2.8 21.5 1.0
O A:GLY201 2.8 24.2 1.0
OD2 A:ASP206 2.8 28.3 1.0
OG1 A:THR204 2.9 23.0 1.0
O A:ASP199 2.9 23.4 1.0
CG A:ASP199 3.3 23.2 1.0
C A:THR204 3.5 24.0 1.0
N A:GLY201 3.5 22.9 1.0
C A:ASP199 3.6 21.8 1.0
CG A:ASP206 3.8 27.1 1.0
C A:GLY201 3.9 26.5 1.0
CB A:ASP199 3.9 20.0 1.0
OD2 A:ASP199 3.9 22.3 1.0
O A:HOH1021 4.0 33.8 0.9
CB A:THR204 4.0 20.3 1.0
N A:ASP206 4.1 19.9 1.0
CA A:THR204 4.2 21.7 1.0
O A:HOH1111 4.2 28.6 1.0
N A:LEU200 4.2 21.4 1.0
N A:PHE205 4.3 20.3 1.0
CA A:GLY201 4.3 23.2 1.0
CA A:PHE205 4.3 20.7 1.0
CA A:LEU200 4.4 21.3 1.0
CA A:ASP199 4.4 19.6 1.0
C A:LEU200 4.4 23.1 1.0
CB A:ASP206 4.5 21.8 1.0
N A:THR204 4.5 21.2 1.0
O A:HOH1093 4.6 26.6 1.0
C A:PHE205 4.6 22.9 1.0
O A:HOH1046 4.6 28.2 1.0
OD1 A:ASP206 4.7 26.4 1.0
O A:HOH1012 4.8 37.9 1.0
O A:HOH1066 4.8 27.9 1.0
CA A:ASP206 4.9 21.3 1.0

Potassium binding site 2 out of 2 in 7odb

Go back to Potassium Binding Sites List in 7odb
Potassium binding site 2 out of 2 in the Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Triazine-Derivative


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Triazine-Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K906

b:46.4
occ:1.00
OD1 A:ASP10 2.6 23.1 1.0
OE1 A:GLU175 2.7 20.5 1.0
OG1 A:THR145 2.7 20.6 1.0
O A:LEU11 3.0 18.3 1.0
O A:THR145 3.0 20.0 1.0
N A:LEU11 3.1 18.5 1.0
C A:LEU11 3.4 18.3 1.0
O A:HOH1135 3.4 20.8 1.0
CD A:GLU175 3.4 21.3 1.0
C A:THR145 3.5 21.0 1.0
NZ A:LYS71 3.5 20.3 1.0
CG A:GLU175 3.7 18.6 1.0
C A:ASP10 3.7 18.6 1.0
CB A:THR145 3.7 22.0 1.0
CA A:LEU11 3.8 17.4 1.0
O A:HOH1110 3.8 24.3 1.0
CG A:ASP10 3.8 24.1 1.0
CA A:ASP10 3.8 20.0 1.0
CA A:THR145 4.0 19.9 1.0
N A:GLY12 4.1 18.7 1.0
N A:VAL146 4.2 19.6 1.0
CB A:LEU11 4.3 16.1 1.0
CB A:ASP10 4.3 21.1 1.0
CA A:GLY12 4.5 19.2 1.0
N A:THR145 4.5 20.1 1.0
CA A:VAL146 4.5 19.6 1.0
OE2 A:GLU175 4.5 21.6 1.0
O A:ASP10 4.7 19.1 1.0
CE A:LYS71 4.7 19.8 1.0
CG1 A:VAL369 4.8 18.2 1.0
OD2 A:ASP10 4.8 23.4 1.0
O A:ILE9 4.9 23.6 1.0
O A:HOH1227 5.0 25.8 1.0

Reference:

M.Zehe, C.Schollmayer, J.Kehrein, C.Plank, H.Kovacs, C.Grimm, C.Sotriffer. Combined in-Solution and Crystallographic Fragment Screening on A Two-Domain HSP70 Construct To Be Published.
Page generated: Mon Aug 12 19:39:03 2024

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