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Thallium in PDB 7lja: Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation

Protein crystallography data

The structure of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation, PDB code: 7lja was solved by R.A.Rietmeijer, S.G.Brohawn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.54 / 2.77
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.23, 136.53, 95.28, 90, 94.54, 90
R / Rfree (%) 20.1 / 24.3

Other elements in 7lja:

The structure of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Thallium Binding Sites:

The binding sites of Thallium atom in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation (pdb code 7lja). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 8 binding sites of Thallium where determined in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation, PDB code: 7lja:
Jump to Thallium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Thallium binding site 1 out of 8 in 7lja

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Thallium binding site 1 out of 8 in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl301

b:85.7
occ:1.00
O B:VAL239 2.4 74.0 1.0
O A:ILE130 2.7 74.2 1.0
O A:THR238 2.7 75.5 1.0
O B:ILE130 2.7 73.9 1.0
O A:VAL239 2.8 74.4 1.0
O A:THR129 2.8 81.8 1.0
O B:THR238 2.8 77.3 1.0
O B:THR129 2.9 79.3 1.0
TL A:TL305 3.2 88.1 1.0
C B:VAL239 3.3 73.5 1.0
C A:VAL239 3.5 74.7 1.0
C A:ILE130 3.5 74.7 1.0
TL A:TL302 3.5 88.4 1.0
C B:ILE130 3.6 75.9 1.0
C A:THR238 3.8 76.1 1.0
CA B:VAL239 3.8 72.9 1.0
C B:THR238 3.9 75.5 1.0
C A:THR129 3.9 79.2 1.0
CA A:VAL239 3.9 75.0 1.0
C B:THR129 4.0 80.4 1.0
CA A:ILE130 4.1 76.1 1.0
CA B:ILE130 4.2 77.4 1.0
N B:GLY240 4.3 73.6 1.0
N B:VAL239 4.3 73.3 1.0
N A:VAL239 4.3 75.3 1.0
N A:ILE130 4.4 77.8 1.0
N A:GLY240 4.4 74.9 1.0
N A:GLY131 4.5 74.3 1.0
N B:ILE130 4.6 79.6 1.0
N B:GLY131 4.6 77.5 1.0
CA B:GLY240 4.6 75.3 1.0
O B:GLY240 4.7 76.2 1.0
CA A:GLY240 4.8 75.5 1.0
O A:GLY240 4.8 75.3 1.0
CA A:GLY131 4.9 73.9 1.0
OG1 B:THR238 4.9 76.2 1.0
O A:GLY131 4.9 72.7 1.0
O B:GLY131 4.9 80.2 1.0
CA B:GLY131 4.9 78.9 1.0
C B:GLY240 4.9 75.1 1.0

Thallium binding site 2 out of 8 in 7lja

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Thallium binding site 2 out of 8 in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl302

b:88.4
occ:1.00
OG1 B:THR238 2.5 76.2 1.0
OG1 A:THR238 2.5 77.1 1.0
O A:THR238 2.7 75.5 1.0
O A:THR129 2.8 81.8 1.0
O B:THR238 2.8 77.3 1.0
OG1 A:THR129 2.8 80.3 1.0
O B:THR129 2.9 79.3 1.0
OG1 B:THR129 2.9 80.6 1.0
CB A:THR238 3.4 78.6 1.0
CB B:THR238 3.5 77.7 1.0
CB A:THR129 3.5 79.9 1.0
TL A:TL301 3.5 85.7 1.0
CB B:THR129 3.6 81.9 1.0
C A:THR238 3.7 76.1 1.0
C A:THR129 3.7 79.2 1.0
C B:THR238 3.7 75.5 1.0
C B:THR129 3.8 80.4 1.0
CA A:THR238 4.2 77.8 1.0
CA A:THR129 4.3 79.7 1.0
CA B:THR238 4.3 76.6 1.0
CA B:THR129 4.4 81.5 1.0
CG2 A:THR238 4.6 80.4 1.0
CG2 B:THR238 4.7 78.6 1.0
N B:VAL239 4.7 73.3 1.0
N A:VAL239 4.7 75.3 1.0
N A:ILE130 4.7 77.8 1.0
CG2 A:THR129 4.8 80.4 1.0
N B:ILE130 4.8 79.6 1.0
O A:THR237 4.8 79.0 1.0
O B:THR237 4.9 74.9 1.0
CG2 B:THR129 4.9 83.5 1.0
CA B:VAL239 5.0 72.9 1.0

Thallium binding site 3 out of 8 in 7lja

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Thallium binding site 3 out of 8 in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 3 of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl305

b:88.1
occ:1.00
O B:GLY240 2.4 76.2 1.0
O A:GLY240 2.6 75.3 1.0
O A:GLY131 2.7 72.7 1.0
O B:GLY131 2.8 80.2 1.0
O A:VAL239 2.8 74.4 1.0
O B:VAL239 2.9 74.0 1.0
O A:ILE130 3.0 74.2 1.0
TL A:TL301 3.2 85.7 1.0
O B:ILE130 3.2 73.9 1.0
TL B:TL301 3.2 89.6 1.0
C B:GLY240 3.3 75.1 1.0
C A:GLY240 3.4 74.8 1.0
C A:GLY131 3.5 73.0 1.0
C B:GLY131 3.6 79.3 1.0
C A:VAL239 3.9 74.7 1.0
C B:VAL239 4.0 73.5 1.0
CA B:GLY240 4.0 75.3 1.0
CA A:GLY240 4.1 75.5 1.0
C A:ILE130 4.1 74.7 1.0
N B:PHE241 4.2 74.2 1.0
CA A:GLY131 4.2 73.9 1.0
C B:ILE130 4.3 75.9 1.0
CA B:GLY131 4.3 78.9 1.0
N A:PHE241 4.3 73.9 1.0
O A:PHE241 4.4 76.6 1.0
N B:GLY240 4.4 73.6 1.0
N A:TYR132 4.4 73.4 1.0
N A:GLY240 4.5 74.9 1.0
N B:TYR132 4.5 80.8 1.0
CA A:PHE241 4.6 74.4 1.0
CA B:PHE241 4.6 75.9 1.0
N A:GLY131 4.6 74.3 1.0
O B:TYR132 4.7 84.0 1.0
O A:TYR132 4.7 76.5 1.0
O B:PHE241 4.7 80.0 1.0
CA A:TYR132 4.7 73.4 1.0
CA B:TYR132 4.7 80.5 1.0
N B:GLY131 4.8 77.5 1.0
C A:PHE241 4.8 76.2 1.0
C B:PHE241 4.8 78.8 1.0
C B:TYR132 4.9 81.8 1.0
C A:TYR132 4.9 74.0 1.0

Thallium binding site 4 out of 8 in 7lja

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Thallium binding site 4 out of 8 in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 4 of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation within 5.0Å range:

Thallium binding site 5 out of 8 in 7lja

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Thallium binding site 5 out of 8 in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 5 of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl307

b:225.3
occ:1.00
O A:TRP223 2.5 113.7 1.0
O A:CYS218 2.8 126.0 1.0
SG A:CYS218 3.1 123.6 1.0
C A:CYS218 3.5 124.6 1.0
C A:TRP223 3.6 108.6 1.0
CA A:CYS218 3.9 121.3 1.0
CB A:CYS218 4.1 122.1 1.0
N A:TRP223 4.1 108.9 1.0
C A:ASP222 4.3 112.9 1.0
N A:SER224 4.3 108.7 1.0
CA A:SER224 4.4 112.2 1.0
CA A:TRP223 4.5 105.0 1.0
CA A:ASP222 4.5 118.0 1.0
N A:TYR219 4.6 126.8 1.0
OD1 A:ASP222 4.8 130.3 1.0
O A:ASP222 4.8 111.9 1.0

Thallium binding site 6 out of 8 in 7lja

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Thallium binding site 6 out of 8 in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 6 of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl301

b:89.6
occ:1.00
O A:PHE241 2.4 76.6 1.0
O B:PHE241 2.5 80.0 1.0
O B:TYR132 2.5 84.0 1.0
O A:TYR132 2.6 76.5 1.0
O B:GLY240 3.1 76.2 1.0
TL A:TL305 3.2 88.1 1.0
O A:GLY240 3.3 75.3 1.0
O A:GLY131 3.3 72.7 1.0
C B:PHE241 3.4 78.8 1.0
C A:PHE241 3.4 76.2 1.0
O B:GLY131 3.4 80.2 1.0
C B:TYR132 3.4 81.8 1.0
C A:TYR132 3.5 74.0 1.0
CA B:PHE241 4.0 75.9 1.0
CA A:PHE241 4.1 74.4 1.0
C B:GLY240 4.1 75.1 1.0
CA B:TYR132 4.2 80.5 1.0
N B:GLY133 4.3 84.5 1.0
CA A:TYR132 4.3 73.4 1.0
N B:GLY242 4.3 80.7 1.0
C A:GLY240 4.3 74.8 1.0
N A:GLY133 4.4 74.3 1.0
C A:GLY131 4.4 73.0 1.0
N A:GLY242 4.4 78.0 1.0
C B:GLY131 4.5 79.3 1.0
CA B:GLY133 4.5 85.0 1.0
N B:PHE241 4.5 74.2 1.0
CA A:GLY133 4.5 74.0 1.0
N A:PHE241 4.7 73.9 1.0
CA B:GLY242 4.7 85.2 1.0
CA A:GLY242 4.8 80.5 1.0
N B:TYR132 4.8 80.8 1.0
N A:TYR132 4.8 73.4 1.0

Thallium binding site 7 out of 8 in 7lja

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Thallium binding site 7 out of 8 in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 7 of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl302

b:183.2
occ:1.00
O B:HOH429 3.2 66.8 1.0
O B:HOH424 3.3 57.0 1.0
O B:HOH430 3.7 92.0 1.0
O A:HOH430 3.8 55.0 1.0
O B:HOH433 3.9 62.1 1.0
O B:HOH434 4.2 60.7 1.0

Thallium binding site 8 out of 8 in 7lja

Go back to Thallium Binding Sites List in 7lja
Thallium binding site 8 out of 8 in the Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 8 of Human Traak K+ Channel Fheig Mutant A198E in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl303

b:245.4
occ:1.00
O B:TRP223 2.4 106.6 1.0
O B:CYS218 2.5 112.9 1.0
C B:CYS218 3.5 112.3 1.0
SG B:CYS218 3.5 111.4 1.0
C B:TRP223 3.6 100.7 1.0
N B:TRP223 3.8 101.6 1.0
CA B:CYS218 3.9 109.7 1.0
C B:ASP222 4.0 105.0 1.0
CA B:ASP222 4.0 109.5 1.0
OD1 B:ASP222 4.1 112.3 1.0
CB B:CYS218 4.2 110.7 1.0
CA B:TRP223 4.4 97.9 1.0
N B:TYR219 4.5 114.4 1.0
N B:SER224 4.5 100.1 1.0
O B:ASP222 4.6 104.6 1.0
CA B:SER224 4.7 101.1 1.0
N B:ASP222 4.8 109.5 1.0
CA B:TYR219 5.0 118.6 1.0

Reference:

R.A.Rietmeijer, B.Sorum, B.Li, S.G.Brohawn. Physical Basis For Distinct Basal and Mechanically-Gated Activity of the Human K + Channel Traak Biorxiv 2021.
DOI: 10.1101/2021.06.04.447000
Page generated: Mon Jul 12 16:13:23 2021

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