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Thallium in PDB 4wfh: Human Traak K+ Channel in A Tl+ Bound Nonconductive Conformation

Protein crystallography data

The structure of Human Traak K+ Channel in A Tl+ Bound Nonconductive Conformation, PDB code: 4wfh was solved by S.G.Brohawn, R.Mackinnon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 96.44 / 3.01
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.972, 138.755, 96.759, 90.00, 94.64, 90.00
R / Rfree (%) 20.3 / 23.9

Other elements in 4wfh:

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

Thallium binding site 1 out of 7 in 4wfh

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Thallium binding site 1 out of 7 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 in A Tl+ Bound Nonconductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl301

b:0.5
occ:1.00
 O A:TRP223 2.6 0.4 1.0
O A:CYS218 3.0 0.1 1.0
SG A:CYS218 3.7 0.0 1.0
C A:TRP223 3.7 0.0 1.0
C A:CYS218 3.7 0.1 1.0
OD1 A:ASP222 3.8 0.9 1.0
N A:TRP223 4.0 0.3 1.0
CA A:ASP222 4.1 0.8 1.0
C A:ASP222 4.1 0.7 1.0
CA A:CYS218 4.2 0.0 1.0
CB A:CYS218 4.5 0.9 1.0
N A:SER224 4.5 0.6 1.0
CA A:TRP223 4.5 0.7 1.0
CA A:SER224 4.6 0.0 1.0
N A:TYR219 4.6 0.6 1.0
CG A:ASP222 4.7 0.6 1.0
O A:ASP222 4.9 0.1 1.0
CA A:TYR219 4.9 0.4 1.0
N A:ASP222 4.9 0.1 1.0

Thallium binding site 2 out of 7 in 4wfh

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Thallium binding site 2 out of 7 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 in A Tl+ Bound Nonconductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl302

b:0.4
occ:1.00
 O B:GLY240 2.5 82.8 1.0
O A:GLY240 2.5 87.2 1.0
O A:VAL239 2.8 96.0 1.0
O B:GLY131 2.8 1.0 1.0
O A:GLY131 2.9 0.8 1.0
O B:VAL239 3.0 99.2 1.0
O A:ILE130 3.1 98.9 1.0
TL A:TL303 3.1 0.2 1.0
O B:ILE130 3.2 0.8 1.0
TL A:TL307 3.2 0.9 1.0
C A:GLY240 3.3 92.9 1.0
C B:GLY240 3.4 88.1 1.0
C B:GLY131 3.5 0.4 1.0
C A:GLY131 3.6 0.5 1.0
C A:VAL239 3.9 97.3 1.0
CA A:GLY240 3.9 96.8 1.0
CA B:GLY240 4.0 93.1 1.0
C B:VAL239 4.1 97.1 1.0
CA B:GLY131 4.1 0.4 1.0
CA A:GLY131 4.1 0.6 1.0
C A:ILE130 4.2 0.0 1.0
C B:ILE130 4.2 1.0 1.0
N A:PHE241 4.3 93.7 1.0
N B:PHE241 4.3 89.7 1.0
N A:GLY240 4.4 96.0 1.0
N B:TYR132 4.4 0.2 1.0
N A:TYR132 4.5 98.3 1.0
N B:GLY240 4.5 96.2 1.0
N B:GLY131 4.6 0.0 1.0
O B:PHE241 4.6 89.8 1.0
N A:GLY131 4.6 0.3 1.0
CA B:PHE241 4.6 91.8 1.0
CA A:PHE241 4.7 95.3 1.0
O A:PHE241 4.7 93.2 1.0
CA B:TYR132 4.7 0.2 1.0
O B:TYR132 4.8 0.6 1.0
CA A:TYR132 4.8 97.6 1.0
C B:PHE241 4.9 92.9 1.0
C B:TYR132 4.9 0.4 1.0
C A:PHE241 4.9 94.3 1.0
O A:TYR132 4.9 0.8 1.0

Thallium binding site 3 out of 7 in 4wfh

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Thallium binding site 3 out of 7 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 in A Tl+ Bound Nonconductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl303

b:0.2
occ:1.00
 O A:THR238 2.6 87.2 1.0
O B:VAL239 2.7 99.2 1.0
O A:VAL239 2.7 96.0 1.0
O B:ILE130 2.7 0.8 1.0
O B:THR238 2.8 91.2 1.0
O A:ILE130 2.9 98.9 1.0
O B:THR129 2.9 0.9 1.0
O A:THR129 2.9 0.2 1.0
TL A:TL302 3.1 0.4 1.0
C A:VAL239 3.4 97.3 1.0
C B:VAL239 3.5 97.1 1.0
C B:ILE130 3.5 1.0 1.0
C A:ILE130 3.6 0.0 1.0
TL A:TL304 3.7 0.9 1.0
C A:THR238 3.8 95.2 1.0
C B:THR238 3.9 96.5 1.0
CA A:VAL239 3.9 97.6 1.0
CA B:VAL239 4.0 96.2 1.0
C B:THR129 4.0 0.1 1.0
C A:THR129 4.1 0.1 1.0
CA B:ILE130 4.1 0.9 1.0
CA A:ILE130 4.1 0.4 1.0
N A:VAL239 4.3 94.5 1.0
N B:GLY240 4.4 96.2 1.0
N A:GLY240 4.4 96.0 1.0
N B:GLY131 4.5 0.0 1.0
N B:VAL239 4.5 97.7 1.0
N B:ILE130 4.6 0.1 1.0
N A:GLY131 4.6 0.3 1.0
N A:ILE130 4.6 0.7 1.0
CA B:GLY240 4.6 93.1 1.0
CA A:GLY240 4.7 96.8 1.0
O B:GLY240 4.7 82.8 1.0
CA B:GLY131 4.7 0.4 1.0
O A:GLY240 4.8 87.2 1.0
CA A:GLY131 4.9 0.6 1.0
OG1 A:THR238 4.9 97.5 1.0
C B:GLY240 4.9 88.1 1.0
CA A:THR238 5.0 0.2 1.0
OG1 B:THR238 5.0 94.4 1.0

Thallium binding site 4 out of 7 in 4wfh

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Thallium binding site 4 out of 7 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 in A Tl+ Bound Nonconductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl304

b:0.9
occ:1.00
 OG1 A:THR238 2.4 97.5 1.0
OG1 B:THR238 2.5 94.4 1.0
OG1 B:THR129 2.9 0.1 1.0
OG1 A:THR129 2.9 0.9 1.0
O A:THR238 2.9 87.2 1.0
O B:THR238 2.9 91.2 1.0
O B:THR129 3.0 0.9 1.0
O A:THR129 3.2 0.2 1.0
CB A:THR238 3.3 0.8 1.0
CB B:THR238 3.5 99.6 1.0
CB B:THR129 3.6 0.8 1.0
TL A:TL303 3.7 0.2 1.0
CB A:THR129 3.7 0.6 1.0
C A:THR238 3.8 95.2 1.0
C B:THR238 3.8 96.5 1.0
C B:THR129 3.9 0.1 1.0
C A:THR129 4.0 0.1 1.0
CA A:THR238 4.2 0.2 1.0
CA B:THR238 4.3 99.2 1.0
CA B:THR129 4.4 1.0 1.0
CG2 A:THR238 4.5 0.8 1.0
C10 B:D10303 4.5 0.0 1.0
CA A:THR129 4.5 0.8 1.0
C9 B:D10303 4.6 0.2 1.0
CG2 B:THR238 4.6 0.5 1.0
C8 B:D10303 4.6 0.9 1.0
O A:THR237 4.7 0.8 1.0
N A:VAL239 4.8 94.5 1.0
CG2 B:THR129 4.8 0.9 1.0
N B:ILE130 4.8 0.1 1.0
CG2 A:THR129 4.9 0.3 1.0
N B:VAL239 4.9 97.7 1.0
N A:ILE130 4.9 0.7 1.0
O B:THR237 4.9 94.3 1.0

Thallium binding site 5 out of 7 in 4wfh

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Thallium binding site 5 out of 7 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 in A Tl+ Bound Nonconductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl307

b:0.9
occ:1.00
 O B:PHE241 2.5 89.8 1.0
O A:PHE241 2.5 93.2 1.0
O B:TYR132 2.7 0.6 1.0
O A:TYR132 2.9 0.8 1.0
O A:GLY240 3.1 87.2 1.0
O B:GLY240 3.2 82.8 1.0
O B:GLY131 3.2 1.0 1.0
TL A:TL302 3.2 0.4 1.0
O A:GLY131 3.3 0.8 1.0
C A:PHE241 3.4 94.3 1.0
C B:PHE241 3.5 92.9 1.0
C B:TYR132 3.5 0.4 1.0
C A:TYR132 3.7 0.7 1.0
CA A:PHE241 4.0 95.3 1.0
CA B:PHE241 4.1 91.8 1.0
C A:GLY240 4.2 92.9 1.0
CA B:TYR132 4.2 0.2 1.0
C B:GLY240 4.3 88.1 1.0
C B:GLY131 4.3 0.4 1.0
N B:GLY133 4.3 0.8 1.0
CA B:GLY133 4.4 0.8 1.0
CA A:TYR132 4.4 97.6 1.0
C A:GLY131 4.4 0.5 1.0
N B:GLY242 4.4 96.3 1.0
N A:GLY242 4.5 96.2 1.0
N A:GLY133 4.5 0.1 1.0
N A:PHE241 4.6 93.7 1.0
CA A:GLY133 4.6 0.7 1.0
CA B:GLY242 4.7 0.8 1.0
N B:PHE241 4.7 89.7 1.0
N B:TYR132 4.8 0.2 1.0
CA A:GLY242 4.8 99.5 1.0
N A:TYR132 4.9 98.3 1.0

Thallium binding site 6 out of 7 in 4wfh

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Thallium binding site 6 out of 7 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 in A Tl+ Bound Nonconductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl301

b:0.2
occ:1.00
 O B:GLY133 4.6 0.9 1.0
CA B:ASN134 4.9 0.0 1.0

Thallium binding site 7 out of 7 in 4wfh

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Thallium binding site 7 out of 7 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 in A Tl+ Bound Nonconductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl302

b:0.5
occ:1.00
 O B:TRP223 2.8 0.0 1.0
O B:CYS218 3.0 0.0 1.0
SG B:CYS218 3.5 0.7 1.0
C B:CYS218 3.6 0.7 1.0
C B:TRP223 3.9 0.4 1.0
OD1 B:ASP222 4.1 0.3 1.0
CA B:CYS218 4.2 0.1 1.0
N B:TRP223 4.3 0.5 1.0
CB B:CYS218 4.3 0.5 1.0
CA B:ASP222 4.4 0.1 1.0
N B:TYR219 4.5 0.1 1.0
C B:ASP222 4.5 0.1 1.0
N B:SER224 4.7 0.6 1.0
CA B:TYR219 4.8 1.0 1.0
CA B:SER224 4.8 0.9 1.0
CA B:TRP223 4.8 0.5 1.0

Reference:

S.G.Brohawn, E.B.Campbell, R.Mackinnon. Physical Mechanism For Gating and Mechanosensitivity of the Human Traak K+ Channel Nature 2014.
ISSN: ESSN 1476-4687
Page generated: Fri Oct 11 10:11:27 2024

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