Calcium in PDB 8sim: KCNQ1 with Voltage Sensor in the Intermediate Conformation
Calcium Binding Sites:
The binding sites of Calcium atom in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
(pdb code 8sim). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
KCNQ1 with Voltage Sensor in the Intermediate Conformation, PDB code: 8sim:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 8sim
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Calcium Binding Sites List in 8sim
Calcium binding site 1 out
of 8 in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of KCNQ1 with Voltage Sensor in the Intermediate Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca201
b:53.3
occ:1.00
|
OG1
|
B:THR35
|
2.4
|
41.9
|
1.0
|
NH1
|
B:ARG38
|
3.2
|
50.5
|
1.0
|
O
|
B:LYS31
|
3.5
|
54.8
|
1.0
|
CB
|
B:THR35
|
3.8
|
39.9
|
1.0
|
CZ
|
B:ARG38
|
3.9
|
52.6
|
1.0
|
NH2
|
B:ARG38
|
4.0
|
50.6
|
1.0
|
C
|
B:LYS31
|
4.2
|
47.9
|
1.0
|
CB
|
B:LYS31
|
4.3
|
52.3
|
1.0
|
CG2
|
B:THR35
|
4.4
|
40.3
|
1.0
|
CA
|
B:LYS31
|
4.5
|
46.1
|
1.0
|
CG
|
B:LYS31
|
4.5
|
54.1
|
1.0
|
CA
|
B:THR35
|
4.6
|
36.4
|
1.0
|
N
|
B:THR35
|
4.7
|
39.3
|
1.0
|
|
Calcium binding site 2 out
of 8 in 8sim
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Calcium Binding Sites List in 8sim
Calcium binding site 2 out
of 8 in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of KCNQ1 with Voltage Sensor in the Intermediate Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca202
b:32.9
occ:0.51
|
NZ
|
B:LYS14
|
3.5
|
66.9
|
1.0
|
CE
|
B:LYS14
|
3.7
|
67.8
|
1.0
|
CD2
|
B:PHE17
|
3.9
|
51.9
|
1.0
|
CE2
|
B:PHE17
|
4.1
|
52.2
|
1.0
|
CA
|
B:GLY26
|
4.7
|
48.6
|
1.0
|
CD
|
B:LYS14
|
4.8
|
69.9
|
1.0
|
|
Calcium binding site 3 out
of 8 in 8sim
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Calcium Binding Sites List in 8sim
Calcium binding site 3 out
of 8 in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of KCNQ1 with Voltage Sensor in the Intermediate Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca201
b:60.0
occ:1.00
|
OG1
|
D:THR35
|
2.4
|
47.8
|
1.0
|
NH1
|
D:ARG38
|
3.2
|
54.8
|
1.0
|
O
|
D:LYS31
|
3.5
|
56.6
|
1.0
|
CB
|
D:THR35
|
3.8
|
45.1
|
1.0
|
CZ
|
D:ARG38
|
3.9
|
59.5
|
1.0
|
NH2
|
D:ARG38
|
4.0
|
56.9
|
1.0
|
C
|
D:LYS31
|
4.2
|
50.7
|
1.0
|
CB
|
D:LYS31
|
4.3
|
56.3
|
1.0
|
CG2
|
D:THR35
|
4.4
|
44.3
|
1.0
|
CG
|
D:LYS31
|
4.5
|
57.2
|
1.0
|
CA
|
D:LYS31
|
4.5
|
50.0
|
1.0
|
CA
|
D:THR35
|
4.6
|
39.7
|
1.0
|
N
|
D:THR35
|
4.7
|
43.0
|
1.0
|
|
Calcium binding site 4 out
of 8 in 8sim
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Calcium Binding Sites List in 8sim
Calcium binding site 4 out
of 8 in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of KCNQ1 with Voltage Sensor in the Intermediate Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca202
b:40.0
occ:0.46
|
NZ
|
D:LYS14
|
3.5
|
74.4
|
1.0
|
CE
|
D:LYS14
|
3.7
|
76.2
|
1.0
|
CD2
|
D:PHE17
|
3.9
|
60.2
|
1.0
|
CE2
|
D:PHE17
|
4.1
|
59.4
|
1.0
|
CA
|
D:GLY26
|
4.7
|
57.0
|
1.0
|
CD
|
D:LYS14
|
4.8
|
78.6
|
1.0
|
|
Calcium binding site 5 out
of 8 in 8sim
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Calcium Binding Sites List in 8sim
Calcium binding site 5 out
of 8 in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of KCNQ1 with Voltage Sensor in the Intermediate Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca201
b:57.5
occ:1.00
|
OG1
|
F:THR35
|
2.4
|
46.4
|
1.0
|
NH1
|
F:ARG38
|
3.2
|
52.3
|
1.0
|
O
|
F:LYS31
|
3.5
|
54.4
|
1.0
|
CB
|
F:THR35
|
3.8
|
43.2
|
1.0
|
CZ
|
F:ARG38
|
3.9
|
56.5
|
1.0
|
NH2
|
F:ARG38
|
4.0
|
53.5
|
1.0
|
C
|
F:LYS31
|
4.2
|
48.3
|
1.0
|
CB
|
F:LYS31
|
4.3
|
53.5
|
1.0
|
CG2
|
F:THR35
|
4.4
|
42.4
|
1.0
|
CA
|
F:LYS31
|
4.5
|
47.4
|
1.0
|
CG
|
F:LYS31
|
4.5
|
55.2
|
1.0
|
CA
|
F:THR35
|
4.6
|
37.8
|
1.0
|
N
|
F:THR35
|
4.7
|
41.4
|
1.0
|
|
Calcium binding site 6 out
of 8 in 8sim
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Calcium Binding Sites List in 8sim
Calcium binding site 6 out
of 8 in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of KCNQ1 with Voltage Sensor in the Intermediate Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca202
b:37.8
occ:0.45
|
NZ
|
F:LYS14
|
3.5
|
70.3
|
1.0
|
CE
|
F:LYS14
|
3.7
|
71.8
|
1.0
|
CD2
|
F:PHE17
|
3.9
|
55.8
|
1.0
|
CE2
|
F:PHE17
|
4.1
|
55.3
|
1.0
|
CA
|
F:GLY26
|
4.7
|
52.8
|
1.0
|
CD
|
F:LYS14
|
4.8
|
75.0
|
1.0
|
|
Calcium binding site 7 out
of 8 in 8sim
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Calcium Binding Sites List in 8sim
Calcium binding site 7 out
of 8 in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of KCNQ1 with Voltage Sensor in the Intermediate Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca201
b:58.1
occ:1.00
|
OG1
|
H:THR35
|
2.4
|
48.1
|
1.0
|
NH1
|
H:ARG38
|
3.2
|
54.3
|
1.0
|
O
|
H:LYS31
|
3.5
|
56.5
|
1.0
|
CB
|
H:THR35
|
3.8
|
44.7
|
1.0
|
CZ
|
H:ARG38
|
3.9
|
59.0
|
1.0
|
NH2
|
H:ARG38
|
4.0
|
55.7
|
1.0
|
C
|
H:LYS31
|
4.2
|
50.4
|
1.0
|
CB
|
H:LYS31
|
4.3
|
55.9
|
1.0
|
CG2
|
H:THR35
|
4.4
|
43.7
|
1.0
|
CG
|
H:LYS31
|
4.5
|
57.6
|
1.0
|
CA
|
H:LYS31
|
4.5
|
49.9
|
1.0
|
CA
|
H:THR35
|
4.6
|
39.5
|
1.0
|
N
|
H:THR35
|
4.7
|
43.5
|
1.0
|
|
Calcium binding site 8 out
of 8 in 8sim
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Calcium Binding Sites List in 8sim
Calcium binding site 8 out
of 8 in the KCNQ1 with Voltage Sensor in the Intermediate Conformation
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of KCNQ1 with Voltage Sensor in the Intermediate Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca202
b:38.2
occ:0.49
|
NZ
|
H:LYS14
|
3.5
|
74.4
|
1.0
|
CE
|
H:LYS14
|
3.7
|
75.5
|
1.0
|
CD2
|
H:PHE17
|
3.9
|
58.7
|
1.0
|
CE2
|
H:PHE17
|
4.1
|
58.7
|
1.0
|
CA
|
H:GLY26
|
4.7
|
56.3
|
1.0
|
CD
|
H:LYS14
|
4.8
|
77.7
|
1.0
|
|
Reference:
V.S.Mandala,
R.Mackinnon.
The Membrane Electric Field Regulates the Pip 2 -Binding Site to Gate the KCNQ1 Channel. Proc.Natl.Acad.Sci.Usa V. 120 85120 2023.
ISSN: ESSN 1091-6490
PubMed: 37192161
DOI: 10.1073/PNAS.2301985120
Page generated: Fri Jul 19 11:29:41 2024
|