Potassium in PDB 1j95: Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium
Protein crystallography data
The structure of Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium, PDB code: 1j95
was solved by
J.H.Morais-Cabral,
R.Mackinnon,
M.Zhou,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.80
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
128.900,
67.400,
112.000,
90.00,
125.30,
90.00
|
R / Rfree (%)
|
29.8 /
32.2
|
Potassium Binding Sites:
The binding sites of Potassium atom in the Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium
(pdb code 1j95). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the
Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium, PDB code: 1j95:
Jump to Potassium binding site number:
1;
2;
3;
4;
Potassium binding site 1 out
of 4 in 1j95
Go back to
Potassium Binding Sites List in 1j95
Potassium binding site 1 out
of 4 in the Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K201
b:53.3
occ:1.00
|
O
|
B:GLY77
|
2.9
|
90.2
|
1.0
|
O
|
C:GLY77
|
2.9
|
84.4
|
1.0
|
O
|
B:TYR78
|
2.9
|
56.9
|
1.0
|
K
|
A:K202
|
2.9
|
75.8
|
1.0
|
O
|
A:GLY77
|
3.0
|
86.5
|
1.0
|
O
|
C:TYR78
|
3.1
|
65.1
|
1.0
|
O
|
A:TYR78
|
3.1
|
68.0
|
1.0
|
O
|
D:GLY77
|
3.1
|
91.3
|
1.0
|
O
|
D:TYR78
|
3.1
|
50.4
|
1.0
|
C
|
B:TYR78
|
3.2
|
63.5
|
1.0
|
C
|
C:TYR78
|
3.3
|
69.4
|
1.0
|
C
|
A:TYR78
|
3.4
|
72.2
|
1.0
|
C
|
D:TYR78
|
3.5
|
64.8
|
1.0
|
CA
|
B:TYR78
|
3.6
|
66.6
|
1.0
|
CA
|
A:TYR78
|
3.7
|
71.5
|
1.0
|
CA
|
C:TYR78
|
3.8
|
68.9
|
1.0
|
CA
|
D:TYR78
|
3.8
|
67.8
|
1.0
|
C
|
B:GLY77
|
3.9
|
76.4
|
1.0
|
C
|
C:GLY77
|
3.9
|
77.6
|
1.0
|
N
|
B:GLY79
|
4.0
|
65.9
|
1.0
|
C
|
A:GLY77
|
4.0
|
83.4
|
1.0
|
N
|
C:GLY79
|
4.0
|
75.2
|
1.0
|
C
|
D:GLY77
|
4.1
|
78.0
|
1.0
|
N
|
A:GLY79
|
4.1
|
76.0
|
1.0
|
N
|
D:GLY79
|
4.2
|
74.5
|
1.0
|
N
|
B:TYR78
|
4.2
|
69.5
|
1.0
|
N
|
A:TYR78
|
4.3
|
79.4
|
1.0
|
N
|
C:TYR78
|
4.3
|
76.0
|
1.0
|
CA
|
B:GLY79
|
4.4
|
72.1
|
1.0
|
N
|
D:TYR78
|
4.5
|
75.1
|
1.0
|
CA
|
C:GLY79
|
4.5
|
78.0
|
1.0
|
CA
|
A:GLY79
|
4.6
|
80.1
|
1.0
|
CA
|
D:GLY79
|
4.6
|
75.0
|
1.0
|
CB
|
B:TYR78
|
4.9
|
72.2
|
1.0
|
O
|
A:VAL76
|
4.9
|
76.5
|
1.0
|
O
|
B:VAL76
|
4.9
|
74.5
|
1.0
|
CB
|
A:TYR78
|
5.0
|
63.7
|
1.0
|
O
|
C:VAL76
|
5.0
|
66.2
|
1.0
|
|
Potassium binding site 2 out
of 4 in 1j95
Go back to
Potassium Binding Sites List in 1j95
Potassium binding site 2 out
of 4 in the Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K202
b:75.8
occ:1.00
|
O
|
A:VAL76
|
2.6
|
76.5
|
1.0
|
O
|
C:VAL76
|
2.6
|
66.2
|
1.0
|
O
|
B:VAL76
|
2.6
|
74.5
|
1.0
|
O
|
D:VAL76
|
2.7
|
66.2
|
1.0
|
O
|
B:GLY77
|
2.8
|
90.2
|
1.0
|
O
|
C:GLY77
|
2.8
|
84.4
|
1.0
|
O
|
A:GLY77
|
2.8
|
86.5
|
1.0
|
O
|
D:GLY77
|
2.8
|
91.3
|
1.0
|
K
|
A:K201
|
2.9
|
53.3
|
1.0
|
K
|
A:K203
|
3.3
|
80.0
|
1.0
|
C
|
B:GLY77
|
3.5
|
76.4
|
1.0
|
C
|
C:GLY77
|
3.5
|
77.6
|
1.0
|
C
|
A:GLY77
|
3.5
|
83.4
|
1.0
|
C
|
D:GLY77
|
3.6
|
78.0
|
1.0
|
C
|
A:VAL76
|
3.8
|
76.0
|
1.0
|
C
|
C:VAL76
|
3.8
|
65.3
|
1.0
|
C
|
B:VAL76
|
3.8
|
72.8
|
1.0
|
C
|
D:VAL76
|
3.9
|
69.2
|
1.0
|
CA
|
B:GLY77
|
4.2
|
73.5
|
1.0
|
CA
|
C:GLY77
|
4.2
|
70.4
|
1.0
|
CA
|
A:GLY77
|
4.2
|
83.7
|
1.0
|
CA
|
D:GLY77
|
4.2
|
73.7
|
1.0
|
N
|
A:TYR78
|
4.3
|
79.4
|
1.0
|
N
|
B:TYR78
|
4.3
|
69.5
|
1.0
|
N
|
C:TYR78
|
4.3
|
76.0
|
1.0
|
N
|
D:TYR78
|
4.3
|
75.1
|
1.0
|
N
|
A:GLY77
|
4.5
|
82.6
|
1.0
|
N
|
B:GLY77
|
4.5
|
74.2
|
1.0
|
N
|
C:GLY77
|
4.5
|
70.6
|
1.0
|
CA
|
B:TYR78
|
4.5
|
66.6
|
1.0
|
CA
|
D:TYR78
|
4.5
|
67.8
|
1.0
|
CA
|
A:TYR78
|
4.5
|
71.5
|
1.0
|
N
|
D:GLY77
|
4.5
|
72.4
|
1.0
|
CA
|
C:TYR78
|
4.5
|
68.9
|
1.0
|
C
|
B:TYR78
|
4.9
|
63.5
|
1.0
|
C
|
D:TYR78
|
4.9
|
64.8
|
1.0
|
C
|
C:TYR78
|
4.9
|
69.4
|
1.0
|
C
|
A:TYR78
|
4.9
|
72.2
|
1.0
|
CA
|
A:VAL76
|
4.9
|
74.8
|
1.0
|
CA
|
C:VAL76
|
5.0
|
59.7
|
1.0
|
|
Potassium binding site 3 out
of 4 in 1j95
Go back to
Potassium Binding Sites List in 1j95
Potassium binding site 3 out
of 4 in the Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K203
b:80.0
occ:1.00
|
O
|
A:THR75
|
2.5
|
90.3
|
1.0
|
O
|
A:VAL76
|
2.6
|
76.5
|
1.0
|
O
|
B:THR75
|
2.6
|
86.3
|
1.0
|
O
|
B:VAL76
|
2.7
|
74.5
|
1.0
|
O
|
D:THR75
|
2.7
|
94.5
|
1.0
|
O
|
D:VAL76
|
2.8
|
66.2
|
1.0
|
O
|
C:THR75
|
2.8
|
0.0
|
1.0
|
O
|
C:VAL76
|
2.9
|
66.2
|
1.0
|
C
|
A:VAL76
|
3.2
|
76.0
|
1.0
|
K
|
A:K202
|
3.3
|
75.8
|
1.0
|
C
|
B:VAL76
|
3.4
|
72.8
|
1.0
|
CA
|
A:VAL76
|
3.5
|
74.8
|
1.0
|
C
|
D:VAL76
|
3.5
|
69.2
|
1.0
|
K
|
B:K204
|
3.5
|
64.1
|
1.0
|
C
|
A:THR75
|
3.5
|
88.2
|
1.0
|
C
|
B:THR75
|
3.6
|
83.6
|
1.0
|
C
|
C:VAL76
|
3.6
|
65.3
|
1.0
|
CA
|
D:VAL76
|
3.7
|
70.7
|
1.0
|
CA
|
B:VAL76
|
3.7
|
70.4
|
1.0
|
C
|
D:THR75
|
3.8
|
89.8
|
1.0
|
C
|
C:THR75
|
3.8
|
90.6
|
1.0
|
CA
|
C:VAL76
|
3.9
|
59.7
|
1.0
|
N
|
A:VAL76
|
3.9
|
83.4
|
1.0
|
N
|
B:VAL76
|
4.1
|
78.8
|
1.0
|
N
|
D:VAL76
|
4.2
|
82.4
|
1.0
|
N
|
C:VAL76
|
4.3
|
77.8
|
1.0
|
N
|
A:GLY77
|
4.4
|
82.6
|
1.0
|
N
|
B:GLY77
|
4.5
|
74.2
|
1.0
|
N
|
D:GLY77
|
4.6
|
72.4
|
1.0
|
N
|
C:GLY77
|
4.7
|
70.6
|
1.0
|
CA
|
A:THR75
|
4.8
|
88.5
|
1.0
|
CA
|
B:THR75
|
4.8
|
82.0
|
1.0
|
CB
|
A:VAL76
|
4.9
|
63.6
|
1.0
|
|
Potassium binding site 4 out
of 4 in 1j95
Go back to
Potassium Binding Sites List in 1j95
Potassium binding site 4 out
of 4 in the Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Kcsa Potassium Channel with Tba (Tetrabutylammonium) and Potassium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K204
b:64.1
occ:1.00
|
O
|
B:THR75
|
2.6
|
86.3
|
1.0
|
O
|
C:THR75
|
2.7
|
0.0
|
1.0
|
O
|
D:THR75
|
2.8
|
94.5
|
1.0
|
O
|
A:THR75
|
2.8
|
90.3
|
1.0
|
OG1
|
C:THR75
|
2.9
|
86.3
|
1.0
|
OG1
|
B:THR75
|
2.9
|
86.8
|
1.0
|
OG1
|
A:THR75
|
3.0
|
84.0
|
1.0
|
OG1
|
D:THR75
|
3.1
|
91.5
|
1.0
|
CB
|
C:THR75
|
3.3
|
83.8
|
1.0
|
CB
|
B:THR75
|
3.4
|
80.3
|
1.0
|
K
|
A:K203
|
3.5
|
80.0
|
1.0
|
CB
|
D:THR75
|
3.5
|
87.8
|
1.0
|
CB
|
A:THR75
|
3.5
|
86.3
|
1.0
|
C
|
B:THR75
|
3.6
|
83.6
|
1.0
|
C
|
C:THR75
|
3.6
|
90.6
|
1.0
|
C
|
A:THR75
|
3.7
|
88.2
|
1.0
|
C
|
D:THR75
|
3.8
|
89.8
|
1.0
|
CA
|
C:THR75
|
4.1
|
87.9
|
1.0
|
CA
|
B:THR75
|
4.2
|
82.0
|
1.0
|
CA
|
A:THR75
|
4.3
|
88.5
|
1.0
|
CA
|
D:THR75
|
4.3
|
89.7
|
1.0
|
O
|
B:THR74
|
4.5
|
77.3
|
1.0
|
O
|
C:THR74
|
4.6
|
81.0
|
1.0
|
CG2
|
C:THR75
|
4.6
|
83.7
|
1.0
|
O
|
A:THR74
|
4.6
|
81.2
|
1.0
|
N
|
B:VAL76
|
4.6
|
78.8
|
1.0
|
CG2
|
B:THR75
|
4.7
|
79.5
|
1.0
|
N
|
C:VAL76
|
4.7
|
77.8
|
1.0
|
O
|
D:THR74
|
4.7
|
83.2
|
1.0
|
N
|
A:VAL76
|
4.7
|
83.4
|
1.0
|
CG2
|
D:THR75
|
4.8
|
94.9
|
1.0
|
C11
|
A:TBA204
|
4.8
|
53.2
|
1.0
|
C21
|
A:TBA204
|
4.8
|
56.5
|
1.0
|
CG2
|
A:THR75
|
4.8
|
86.4
|
1.0
|
N
|
D:VAL76
|
4.8
|
82.4
|
1.0
|
C31
|
A:TBA204
|
4.9
|
74.5
|
1.0
|
CA
|
B:VAL76
|
4.9
|
70.4
|
1.0
|
N1
|
A:TBA204
|
4.9
|
71.9
|
1.0
|
CA
|
C:VAL76
|
5.0
|
59.7
|
1.0
|
|
Reference:
M.Zhou,
J.H.Morais-Cabral,
S.Mann,
R.Mackinnon.
Potassium Channel Receptor Site For the Inactivation Gate and Quaternary Amine Inhibitors Nature V. 411 657 2001.
ISSN: ISSN 0028-0836
PubMed: 11395760
DOI: 10.1038/35079500
Page generated: Mon Aug 12 04:35:30 2024
|