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:
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
Go back to
Thallium Binding Sites List in 7lja
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
Go back to
Thallium Binding Sites List in 7lja
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
Go back to
Thallium Binding Sites List in 7lja
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
Go back to
Thallium Binding Sites List in 7lja
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
Go back to
Thallium Binding Sites List in 7lja
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
Go back to
Thallium Binding Sites List in 7lja
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
Go back to
Thallium Binding Sites List in 7lja
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
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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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