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Thallium in PDB 4wfg: Human Traak K+ Channel in A Tl+ Bound Conductive Conformation

Protein crystallography data

The structure of Human Traak K+ Channel in A Tl+ Bound Conductive Conformation, PDB code: 4wfg 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) 48.00 / 3.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.798, 138.760, 96.317, 90.00, 94.52, 90.00
R / Rfree (%) 20.2 / 23.6

Other elements in 4wfg:

The structure of Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation (pdb code 4wfg). 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 in A Tl+ Bound Conductive Conformation, PDB code: 4wfg:
Jump to Thallium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Thallium binding site 1 out of 8 in 4wfg

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Thallium binding site 1 out of 8 in the Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl301

b:0.9
occ:1.00
 OG1 A:THR238 2.4 90.9 1.0
OG1 B:THR238 2.7 83.8 1.0
O A:THR238 2.7 92.3 1.0
OG1 B:THR129 2.8 0.0 1.0
OG1 A:THR129 2.9 88.4 1.0
O B:THR238 2.9 84.6 1.0
O B:THR129 3.0 0.8 1.0
O A:THR129 3.1 0.8 1.0
CB A:THR238 3.3 95.6 1.0
CB B:THR129 3.6 0.5 1.0
TL A:TL307 3.6 0.5 1.0
C A:THR238 3.6 95.0 1.0
CB B:THR238 3.6 87.2 1.0
CB A:THR129 3.7 89.1 1.0
C B:THR129 3.8 0.9 1.0
C B:THR238 3.9 88.3 1.0
C A:THR129 3.9 96.7 1.0
CA A:THR238 4.1 97.3 1.0
CA B:THR129 4.4 0.6 1.0
CA B:THR238 4.4 88.8 1.0
CA A:THR129 4.5 93.8 1.0
CG2 A:THR238 4.5 98.9 1.0
N A:VAL239 4.6 94.1 1.0
O A:THR237 4.6 97.5 1.0
N B:ILE130 4.8 0.3 1.0
N A:ILE130 4.8 96.6 1.0
CG2 B:THR238 4.8 92.5 1.0
CG2 B:THR129 4.8 0.1 1.0
N B:VAL239 4.9 91.4 1.0
CG2 A:THR129 4.9 89.5 1.0
CA A:VAL239 5.0 95.4 1.0

Thallium binding site 2 out of 8 in 4wfg

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Thallium binding site 2 out of 8 in the Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl302

b:0.3
occ:1.00
 O A:GLY240 2.5 78.8 1.0
O B:GLY240 2.5 78.8 1.0
O A:GLY131 2.7 0.7 1.0
O B:GLY131 2.8 0.7 1.0
O A:VAL239 2.9 89.4 1.0
O B:VAL239 3.0 88.1 1.0
TL A:TL303 3.1 0.2 1.0
O A:ILE130 3.1 95.1 1.0
TL A:TL307 3.2 0.5 1.0
O B:ILE130 3.2 98.5 1.0
C A:GLY240 3.4 85.9 1.0
C B:GLY240 3.4 84.4 1.0
C A:GLY131 3.5 96.2 1.0
C B:GLY131 3.5 99.9 1.0
CA A:GLY240 4.0 89.9 1.0
CA B:GLY240 4.0 88.2 1.0
C A:VAL239 4.0 92.6 1.0
CA A:GLY131 4.1 99.8 1.0
C B:VAL239 4.1 90.3 1.0
CA B:GLY131 4.1 99.7 1.0
C A:ILE130 4.2 97.2 1.0
C B:ILE130 4.3 98.3 1.0
N B:PHE241 4.3 86.0 1.0
N A:PHE241 4.3 88.4 1.0
N A:TYR132 4.4 90.0 1.0
N B:TYR132 4.4 0.4 1.0
N A:GLY240 4.5 93.8 1.0
N B:GLY240 4.6 92.0 1.0
CA B:PHE241 4.6 85.3 1.0
N A:GLY131 4.6 0.4 1.0
CA A:PHE241 4.6 91.5 1.0
O B:PHE241 4.7 82.9 1.0
N B:GLY131 4.7 99.0 1.0
CA A:TYR132 4.7 90.6 1.0
O B:TYR132 4.7 0.5 1.0
CA B:TYR132 4.7 99.7 1.0
O A:TYR132 4.7 0.0 1.0
O A:PHE241 4.8 91.4 1.0
C B:PHE241 4.8 85.7 1.0
C A:TYR132 4.9 95.3 1.0
C A:PHE241 4.9 91.5 1.0
C B:TYR132 4.9 98.0 1.0

Thallium binding site 3 out of 8 in 4wfg

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Thallium binding site 3 out of 8 in the Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl303

b:0.2
occ:1.00
 O A:PHE241 2.6 91.4 1.0
O B:TYR132 2.6 0.5 1.0
O B:PHE241 2.7 82.9 1.0
O A:TYR132 2.8 0.0 1.0
O A:GLY240 3.1 78.8 1.0
TL A:TL302 3.1 0.3 1.0
O B:GLY131 3.1 0.7 1.0
O B:GLY240 3.2 78.8 1.0
O A:GLY131 3.3 0.7 1.0
C A:PHE241 3.4 91.5 1.0
C B:TYR132 3.5 98.0 1.0
C B:PHE241 3.5 85.7 1.0
C A:TYR132 3.7 95.3 1.0
CA A:PHE241 4.0 91.5 1.0
C A:GLY240 4.2 85.9 1.0
CA B:TYR132 4.2 99.7 1.0
CA B:PHE241 4.2 85.3 1.0
C B:GLY131 4.2 99.9 1.0
C B:GLY240 4.3 84.4 1.0
N B:GLY133 4.3 0.4 1.0
CA A:TYR132 4.4 90.6 1.0
C A:GLY131 4.4 96.2 1.0
N A:GLY242 4.4 93.5 1.0
CA B:GLY133 4.4 0.8 1.0
N B:GLY242 4.5 90.3 1.0
N A:GLY133 4.5 97.6 1.0
N A:PHE241 4.6 88.4 1.0
CA A:GLY133 4.6 98.4 1.0
N B:TYR132 4.7 0.4 1.0
CA B:GLY242 4.7 96.2 1.0
N B:PHE241 4.7 86.0 1.0
CA A:GLY242 4.8 96.6 1.0
N A:TYR132 4.9 90.0 1.0

Thallium binding site 4 out of 8 in 4wfg

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Thallium binding site 4 out of 8 in the Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl304

b:0.5
occ:1.00
 O A:TRP223 2.7 0.3 1.0
O A:CYS218 3.1 0.8 1.0
OD1 A:ASP222 3.5 0.4 1.0
SG A:CYS218 3.6 0.9 1.0
C A:TRP223 3.6 1.0 1.0
C A:CYS218 3.8 0.1 1.0
CA A:ASP222 3.9 0.2 1.0
C A:ASP222 3.9 0.3 1.0
N A:TRP223 4.0 0.8 1.0
CA A:CYS218 4.3 0.9 1.0
N A:SER224 4.5 0.4 1.0
CA A:TRP223 4.5 1.0 1.0
CB A:CYS218 4.5 0.7 1.0
CG A:ASP222 4.5 0.7 1.0
O A:ASP222 4.5 0.9 1.0
CA A:SER224 4.6 0.4 1.0
N A:TYR219 4.8 0.1 1.0
N A:ASP222 4.8 0.0 1.0
CB A:ASP222 4.9 0.4 1.0

Thallium binding site 5 out of 8 in 4wfg

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Thallium binding site 5 out of 8 in the Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl307

b:0.5
occ:1.00
 O B:ILE130 2.7 98.5 1.0
O A:VAL239 2.7 89.4 1.0
O A:ILE130 2.7 95.1 1.0
O B:VAL239 2.7 88.1 1.0
O A:THR238 2.8 92.3 1.0
O B:THR238 2.9 84.6 1.0
O B:THR129 3.0 0.8 1.0
O A:THR129 3.0 0.8 1.0
TL A:TL302 3.2 0.3 1.0
C A:VAL239 3.4 92.6 1.0
C B:VAL239 3.4 90.3 1.0
C B:ILE130 3.5 98.3 1.0
C A:ILE130 3.5 97.2 1.0
TL A:TL301 3.6 0.9 1.0
C A:THR238 3.9 95.0 1.0
CA A:VAL239 3.9 95.4 1.0
C B:THR238 4.0 88.3 1.0
CA B:VAL239 4.1 91.0 1.0
C B:THR129 4.1 0.9 1.0
CA A:ILE130 4.1 95.7 1.0
CA B:ILE130 4.1 99.3 1.0
C A:THR129 4.1 96.7 1.0
N A:GLY240 4.3 93.8 1.0
N B:GLY240 4.3 92.0 1.0
N A:VAL239 4.4 94.1 1.0
N B:GLY131 4.4 99.0 1.0
N A:GLY131 4.5 0.4 1.0
N B:VAL239 4.5 91.4 1.0
CA A:GLY240 4.6 89.9 1.0
N B:ILE130 4.6 0.3 1.0
N A:ILE130 4.6 96.6 1.0
CA B:GLY240 4.6 88.2 1.0
CA B:GLY131 4.7 99.7 1.0
O B:GLY240 4.7 78.8 1.0
O A:GLY240 4.7 78.8 1.0
CA A:GLY131 4.7 99.8 1.0
O B:GLY131 4.9 0.7 1.0
C B:GLY240 4.9 84.4 1.0
C A:GLY240 4.9 85.9 1.0
O A:GLY131 5.0 0.7 1.0

Thallium binding site 6 out of 8 in 4wfg

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Thallium binding site 6 out of 8 in the Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation within 5.0Å range:

Thallium binding site 7 out of 8 in 4wfg

Go back to Thallium Binding Sites List in 4wfg
Thallium binding site 7 out of 8 in the Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl302

b:0.5
occ:1.00
 O B:GLY133 4.4 1.0 1.0
CA B:ASN134 4.8 0.2 1.0

Thallium binding site 8 out of 8 in 4wfg

Go back to Thallium Binding Sites List in 4wfg
Thallium binding site 8 out of 8 in the Human Traak K+ Channel 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 in A Tl+ Bound Conductive Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl303

b:0.5
occ:1.00
 O B:TRP223 2.7 0.4 1.0
SG B:CYS218 3.2 0.3 1.0
O B:CYS218 3.3 0.7 1.0
C B:TRP223 3.7 1.0 1.0
C B:CYS218 3.8 0.9 1.0
CA B:CYS218 4.2 0.5 1.0
CB B:CYS218 4.3 0.5 1.0
OD1 B:ASP222 4.3 0.2 1.0
N B:TRP223 4.4 0.5 1.0
CA B:SER224 4.4 0.1 1.0
N B:SER224 4.4 0.4 1.0
C B:ASP222 4.5 0.0 1.0
CA B:ASP222 4.6 0.9 1.0
CA B:TRP223 4.7 0.0 1.0
N B:TYR219 4.8 0.8 1.0
C B:SER224 5.0 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 10:06:47 2024

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