Potassium in PDB 8qud: Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5
Other elements in 8qud:
The structure of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5 also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5
(pdb code 8qud). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the
Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5, PDB code: 8qud:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
Potassium binding site 1 out
of 6 in 8qud
Go back to
Potassium Binding Sites List in 8qud
Potassium binding site 1 out
of 6 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K605
b:9.1
occ:1.00
|
O
|
C:THR400
|
2.8
|
13.5
|
1.0
|
O
|
D:THR400
|
2.8
|
13.5
|
1.0
|
O
|
B:THR400
|
2.9
|
13.5
|
1.0
|
O
|
A:THR400
|
2.9
|
13.5
|
1.0
|
K
|
C:K605
|
3.0
|
38.2
|
1.0
|
O
|
D:LEU401
|
3.0
|
11.8
|
1.0
|
O
|
C:LEU401
|
3.0
|
11.8
|
1.0
|
O
|
A:LEU401
|
3.1
|
11.8
|
1.0
|
O
|
B:LEU401
|
3.1
|
11.8
|
1.0
|
K
|
C:K606
|
3.7
|
23.2
|
1.0
|
C
|
C:LEU401
|
3.7
|
0.0
|
1.0
|
C
|
D:LEU401
|
3.7
|
0.0
|
1.0
|
C
|
B:LEU401
|
3.7
|
0.0
|
1.0
|
C
|
A:LEU401
|
3.7
|
0.0
|
1.0
|
C
|
C:THR400
|
3.9
|
0.0
|
1.0
|
C
|
D:THR400
|
4.0
|
0.0
|
1.0
|
C
|
B:THR400
|
4.0
|
0.0
|
1.0
|
C
|
A:THR400
|
4.1
|
0.0
|
1.0
|
CA
|
D:LEU401
|
4.2
|
0.0
|
1.0
|
CA
|
C:LEU401
|
4.2
|
0.0
|
1.0
|
CA
|
B:LEU401
|
4.2
|
0.0
|
1.0
|
CA
|
A:LEU401
|
4.2
|
0.0
|
1.0
|
N
|
C:GLY402
|
4.5
|
4.3
|
1.0
|
N
|
C:LEU401
|
4.5
|
0.5
|
1.0
|
N
|
D:GLY402
|
4.5
|
4.3
|
1.0
|
N
|
D:LEU401
|
4.5
|
0.5
|
1.0
|
N
|
B:GLY402
|
4.6
|
4.3
|
1.0
|
N
|
B:LEU401
|
4.6
|
0.5
|
1.0
|
N
|
A:GLY402
|
4.6
|
4.3
|
1.0
|
N
|
A:LEU401
|
4.6
|
0.5
|
1.0
|
CA
|
C:GLY402
|
4.8
|
0.0
|
1.0
|
CA
|
D:GLY402
|
4.8
|
0.0
|
1.0
|
CA
|
B:GLY402
|
4.9
|
0.0
|
1.0
|
CA
|
A:GLY402
|
4.9
|
0.0
|
1.0
|
O
|
C:GLY402
|
4.9
|
21.5
|
1.0
|
O
|
D:GLY402
|
4.9
|
21.5
|
1.0
|
O
|
A:GLY402
|
4.9
|
21.5
|
1.0
|
O
|
B:GLY402
|
4.9
|
21.5
|
1.0
|
|
Potassium binding site 2 out
of 6 in 8qud
Go back to
Potassium Binding Sites List in 8qud
Potassium binding site 2 out
of 6 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K606
b:30.0
occ:1.00
|
K
|
C:K606
|
4.0
|
23.2
|
1.0
|
O
|
B:HOH725
|
4.0
|
30.0
|
1.0
|
O
|
A:HOH725
|
4.1
|
30.0
|
1.0
|
OG1
|
A:THR400
|
4.2
|
16.2
|
1.0
|
OG1
|
B:THR400
|
4.3
|
16.2
|
1.0
|
O
|
C:HOH725
|
4.3
|
30.0
|
1.0
|
O
|
D:HOH725
|
4.3
|
30.0
|
1.0
|
OG1
|
D:THR400
|
4.5
|
16.2
|
1.0
|
OG1
|
C:THR400
|
4.5
|
16.2
|
1.0
|
|
Potassium binding site 3 out
of 6 in 8qud
Go back to
Potassium Binding Sites List in 8qud
Potassium binding site 3 out
of 6 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K607
b:30.0
occ:1.00
|
O
|
D:HOH717
|
2.8
|
30.0
|
1.0
|
O
|
A:HOH719
|
2.9
|
30.0
|
1.0
|
O
|
C:HOH718
|
3.2
|
30.0
|
1.0
|
O
|
B:HOH718
|
3.4
|
30.0
|
1.0
|
O
|
A:TYR403
|
3.5
|
7.0
|
1.0
|
O
|
B:TYR403
|
3.7
|
7.0
|
1.0
|
K
|
B:K605
|
3.7
|
4.9
|
1.0
|
O
|
D:TYR403
|
3.7
|
7.0
|
1.0
|
O
|
C:TYR403
|
3.9
|
7.0
|
1.0
|
CA
|
A:GLY404
|
4.4
|
0.0
|
1.0
|
O
|
D:HOH726
|
4.4
|
30.0
|
1.0
|
CA
|
D:GLY404
|
4.4
|
0.0
|
1.0
|
C
|
A:TYR403
|
4.6
|
0.0
|
1.0
|
C
|
A:GLY404
|
4.6
|
0.0
|
1.0
|
O
|
A:GLY404
|
4.6
|
6.1
|
1.0
|
O
|
A:HOH726
|
4.7
|
30.0
|
1.0
|
O
|
C:HOH726
|
4.7
|
30.0
|
1.0
|
O
|
D:GLY404
|
4.7
|
6.1
|
1.0
|
C
|
D:GLY404
|
4.7
|
0.0
|
1.0
|
CA
|
B:GLY404
|
4.8
|
0.0
|
1.0
|
C
|
D:TYR403
|
4.8
|
0.0
|
1.0
|
C
|
B:TYR403
|
4.8
|
0.0
|
1.0
|
CA
|
C:GLY404
|
4.8
|
0.0
|
1.0
|
O
|
B:HOH726
|
4.9
|
30.0
|
1.0
|
N
|
A:GLY404
|
5.0
|
7.0
|
1.0
|
|
Potassium binding site 4 out
of 6 in 8qud
Go back to
Potassium Binding Sites List in 8qud
Potassium binding site 4 out
of 6 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K605
b:4.9
occ:1.00
|
O
|
C:TYR403
|
2.8
|
7.0
|
1.0
|
O
|
B:TYR403
|
2.8
|
7.0
|
1.0
|
O
|
D:TYR403
|
2.8
|
7.0
|
1.0
|
O
|
A:TYR403
|
2.8
|
7.0
|
1.0
|
O
|
C:GLY402
|
3.0
|
21.5
|
1.0
|
O
|
B:GLY402
|
3.0
|
21.5
|
1.0
|
O
|
D:GLY402
|
3.1
|
21.5
|
1.0
|
O
|
A:GLY402
|
3.1
|
21.5
|
1.0
|
C
|
C:TYR403
|
3.5
|
0.0
|
1.0
|
C
|
B:TYR403
|
3.5
|
0.0
|
1.0
|
C
|
D:TYR403
|
3.5
|
0.0
|
1.0
|
C
|
A:TYR403
|
3.6
|
0.0
|
1.0
|
K
|
C:K605
|
3.6
|
38.2
|
1.0
|
K
|
A:K607
|
3.7
|
30.0
|
1.0
|
C
|
C:GLY402
|
4.1
|
0.0
|
1.0
|
CA
|
C:TYR403
|
4.2
|
0.0
|
1.0
|
C
|
B:GLY402
|
4.2
|
0.0
|
1.0
|
CA
|
B:TYR403
|
4.2
|
0.0
|
1.0
|
C
|
D:GLY402
|
4.2
|
0.0
|
1.0
|
CA
|
D:TYR403
|
4.2
|
0.0
|
1.0
|
N
|
C:GLY404
|
4.2
|
7.0
|
1.0
|
N
|
B:GLY404
|
4.2
|
7.0
|
1.0
|
C
|
A:GLY402
|
4.2
|
0.0
|
1.0
|
CA
|
A:TYR403
|
4.3
|
0.0
|
1.0
|
N
|
D:GLY404
|
4.3
|
7.0
|
1.0
|
N
|
A:GLY404
|
4.3
|
7.0
|
1.0
|
CA
|
C:GLY404
|
4.4
|
0.0
|
1.0
|
CA
|
B:GLY404
|
4.4
|
0.0
|
1.0
|
CA
|
D:GLY404
|
4.5
|
0.0
|
1.0
|
CA
|
A:GLY404
|
4.5
|
0.0
|
1.0
|
N
|
C:TYR403
|
4.7
|
6.0
|
1.0
|
N
|
B:TYR403
|
4.7
|
6.0
|
1.0
|
N
|
D:TYR403
|
4.7
|
6.0
|
1.0
|
N
|
A:TYR403
|
4.8
|
6.0
|
1.0
|
|
Potassium binding site 5 out
of 6 in 8qud
Go back to
Potassium Binding Sites List in 8qud
Potassium binding site 5 out
of 6 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K605
b:38.2
occ:1.00
|
O
|
D:GLY402
|
2.6
|
21.5
|
1.0
|
O
|
C:GLY402
|
2.6
|
21.5
|
1.0
|
O
|
A:GLY402
|
2.6
|
21.5
|
1.0
|
O
|
B:GLY402
|
2.6
|
21.5
|
1.0
|
O
|
D:LEU401
|
2.9
|
11.8
|
1.0
|
O
|
B:LEU401
|
2.9
|
11.8
|
1.0
|
O
|
C:LEU401
|
2.9
|
11.8
|
1.0
|
O
|
A:LEU401
|
2.9
|
11.8
|
1.0
|
K
|
A:K605
|
3.0
|
9.1
|
1.0
|
C
|
D:GLY402
|
3.5
|
0.0
|
1.0
|
C
|
C:GLY402
|
3.5
|
0.0
|
1.0
|
C
|
A:GLY402
|
3.5
|
0.0
|
1.0
|
C
|
B:GLY402
|
3.5
|
0.0
|
1.0
|
K
|
B:K605
|
3.6
|
4.9
|
1.0
|
CA
|
D:GLY402
|
3.9
|
0.0
|
1.0
|
CA
|
C:GLY402
|
3.9
|
0.0
|
1.0
|
C
|
D:LEU401
|
3.9
|
0.0
|
1.0
|
CA
|
A:GLY402
|
3.9
|
0.0
|
1.0
|
CA
|
B:GLY402
|
4.0
|
0.0
|
1.0
|
C
|
C:LEU401
|
4.0
|
0.0
|
1.0
|
C
|
B:LEU401
|
4.0
|
0.0
|
1.0
|
C
|
A:LEU401
|
4.0
|
0.0
|
1.0
|
N
|
D:GLY402
|
4.4
|
4.3
|
1.0
|
N
|
C:GLY402
|
4.4
|
4.3
|
1.0
|
N
|
B:GLY402
|
4.4
|
4.3
|
1.0
|
N
|
A:GLY402
|
4.4
|
4.3
|
1.0
|
N
|
D:TYR403
|
4.6
|
6.0
|
1.0
|
N
|
C:TYR403
|
4.6
|
6.0
|
1.0
|
N
|
A:TYR403
|
4.6
|
6.0
|
1.0
|
N
|
B:TYR403
|
4.6
|
6.0
|
1.0
|
CA
|
D:TYR403
|
5.0
|
0.0
|
1.0
|
CA
|
A:TYR403
|
5.0
|
0.0
|
1.0
|
|
Potassium binding site 6 out
of 6 in 8qud
Go back to
Potassium Binding Sites List in 8qud
Potassium binding site 6 out
of 6 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 6 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K606
b:23.2
occ:1.00
|
O
|
D:THR400
|
3.1
|
13.5
|
1.0
|
O
|
C:THR400
|
3.2
|
13.5
|
1.0
|
O
|
A:THR400
|
3.2
|
13.5
|
1.0
|
O
|
B:THR400
|
3.2
|
13.5
|
1.0
|
OG1
|
D:THR400
|
3.4
|
16.2
|
1.0
|
OG1
|
C:THR400
|
3.5
|
16.2
|
1.0
|
OG1
|
A:THR400
|
3.5
|
16.2
|
1.0
|
OG1
|
B:THR400
|
3.5
|
16.2
|
1.0
|
CB
|
D:THR400
|
3.6
|
7.2
|
1.0
|
CB
|
C:THR400
|
3.6
|
7.2
|
1.0
|
K
|
A:K605
|
3.7
|
9.1
|
1.0
|
CB
|
A:THR400
|
3.7
|
7.2
|
1.0
|
CB
|
B:THR400
|
3.7
|
7.2
|
1.0
|
K
|
A:K606
|
4.0
|
30.0
|
1.0
|
C
|
D:THR400
|
4.0
|
0.0
|
1.0
|
C
|
C:THR400
|
4.1
|
0.0
|
1.0
|
C
|
A:THR400
|
4.1
|
0.0
|
1.0
|
C
|
B:THR400
|
4.1
|
0.0
|
1.0
|
CA
|
D:THR400
|
4.5
|
0.0
|
1.0
|
CA
|
C:THR400
|
4.5
|
0.0
|
1.0
|
CA
|
A:THR400
|
4.5
|
0.0
|
1.0
|
CA
|
B:THR400
|
4.6
|
0.0
|
1.0
|
CG2
|
C:THR400
|
4.7
|
0.0
|
1.0
|
CG2
|
D:THR400
|
4.7
|
0.0
|
1.0
|
CG2
|
B:THR400
|
4.8
|
0.0
|
1.0
|
CG2
|
A:THR400
|
4.8
|
0.0
|
1.0
|
O
|
D:THR399
|
4.9
|
16.6
|
1.0
|
O
|
C:THR399
|
5.0
|
16.6
|
1.0
|
O
|
A:THR399
|
5.0
|
16.6
|
1.0
|
|
Reference:
Q.Liang,
G.Chi,
L.Cirqueira,
L.Zhi,
A.Marasco,
N.Pilati,
M.J.Gunthorpe,
G.Alvaro,
C.H.Large,
D.B.Sauer,
W.Treptow,
M.Covarrubias.
The Binding and Mechanism of A Positive Allosteric Modulator of KV3 Channels. Nat Commun V. 15 2533 2024.
ISSN: ESSN 2041-1723
PubMed: 38514618
DOI: 10.1038/S41467-024-46813-8
Page generated: Tue Aug 13 00:30:37 2024
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