Zinc in PDB 8quc: Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1
Other elements in 8quc:
The structure of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1 also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1
(pdb code 8quc). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1, PDB code: 8quc:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 8quc
Go back to
Zinc Binding Sites List in 8quc
Zinc binding site 1 out
of 4 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn603
b:72.5
occ:1.00
|
ND1
|
A:HIS77
|
2.1
|
22.0
|
1.0
|
SG
|
B:CYS83
|
2.3
|
49.1
|
1.0
|
SG
|
A:CYS105
|
2.3
|
28.9
|
1.0
|
SG
|
A:CYS104
|
2.3
|
33.5
|
1.0
|
CG
|
A:HIS77
|
3.0
|
20.9
|
1.0
|
CE1
|
A:HIS77
|
3.1
|
16.1
|
1.0
|
CB
|
B:CYS83
|
3.2
|
11.9
|
1.0
|
CB
|
A:HIS77
|
3.3
|
15.7
|
1.0
|
CB
|
A:CYS104
|
3.8
|
25.9
|
1.0
|
CB
|
A:CYS105
|
3.8
|
28.4
|
1.0
|
CA
|
A:HIS77
|
4.0
|
9.3
|
1.0
|
N
|
A:CYS105
|
4.0
|
31.8
|
1.0
|
C
|
A:CYS104
|
4.1
|
33.5
|
1.0
|
CD2
|
A:HIS77
|
4.2
|
19.4
|
1.0
|
NE2
|
A:HIS77
|
4.2
|
13.7
|
1.0
|
CA
|
A:CYS105
|
4.4
|
25.6
|
1.0
|
O
|
A:HOH703
|
4.4
|
7.7
|
1.0
|
O
|
A:CYS104
|
4.4
|
38.5
|
1.0
|
N
|
A:CYS78
|
4.4
|
21.3
|
1.0
|
CA
|
A:CYS104
|
4.5
|
24.4
|
1.0
|
CA
|
B:CYS83
|
4.6
|
18.5
|
1.0
|
CB
|
A:GLU102
|
4.6
|
30.2
|
1.0
|
C
|
A:HIS77
|
4.8
|
21.2
|
1.0
|
N
|
B:CYS83
|
5.0
|
26.6
|
1.0
|
|
Zinc binding site 2 out
of 4 in 8quc
Go back to
Zinc Binding Sites List in 8quc
Zinc binding site 2 out
of 4 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn603
b:72.5
occ:1.00
|
ND1
|
B:HIS77
|
2.1
|
22.0
|
1.0
|
SG
|
C:CYS83
|
2.3
|
49.1
|
1.0
|
SG
|
B:CYS105
|
2.3
|
28.9
|
1.0
|
SG
|
B:CYS104
|
2.3
|
33.5
|
1.0
|
CG
|
B:HIS77
|
3.0
|
20.9
|
1.0
|
CE1
|
B:HIS77
|
3.1
|
16.1
|
1.0
|
CB
|
C:CYS83
|
3.1
|
11.9
|
1.0
|
CB
|
B:HIS77
|
3.3
|
15.7
|
1.0
|
CB
|
B:CYS104
|
3.8
|
25.9
|
1.0
|
CB
|
B:CYS105
|
3.8
|
28.4
|
1.0
|
CA
|
B:HIS77
|
4.0
|
9.3
|
1.0
|
N
|
B:CYS105
|
4.0
|
31.8
|
1.0
|
C
|
B:CYS104
|
4.1
|
33.5
|
1.0
|
CD2
|
B:HIS77
|
4.2
|
19.4
|
1.0
|
NE2
|
B:HIS77
|
4.2
|
13.7
|
1.0
|
CA
|
B:CYS105
|
4.4
|
25.6
|
1.0
|
O
|
B:HOH703
|
4.4
|
7.7
|
1.0
|
O
|
B:CYS104
|
4.4
|
38.5
|
1.0
|
N
|
B:CYS78
|
4.4
|
21.3
|
1.0
|
CA
|
B:CYS104
|
4.5
|
24.4
|
1.0
|
CA
|
C:CYS83
|
4.6
|
18.5
|
1.0
|
CB
|
B:GLU102
|
4.6
|
30.2
|
1.0
|
C
|
B:HIS77
|
4.8
|
21.2
|
1.0
|
N
|
C:CYS83
|
4.9
|
26.6
|
1.0
|
|
Zinc binding site 3 out
of 4 in 8quc
Go back to
Zinc Binding Sites List in 8quc
Zinc binding site 3 out
of 4 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn602
b:72.5
occ:1.00
|
ND1
|
D:HIS77
|
2.1
|
22.0
|
1.0
|
SG
|
D:CYS105
|
2.3
|
28.9
|
1.0
|
SG
|
D:CYS104
|
2.3
|
33.5
|
1.0
|
SG
|
A:CYS83
|
2.3
|
49.1
|
1.0
|
CG
|
D:HIS77
|
3.0
|
20.9
|
1.0
|
CE1
|
D:HIS77
|
3.1
|
16.1
|
1.0
|
CB
|
A:CYS83
|
3.2
|
11.9
|
1.0
|
CB
|
D:HIS77
|
3.3
|
15.7
|
1.0
|
CB
|
D:CYS104
|
3.8
|
25.9
|
1.0
|
CB
|
D:CYS105
|
3.8
|
28.4
|
1.0
|
CA
|
D:HIS77
|
4.0
|
9.3
|
1.0
|
N
|
D:CYS105
|
4.0
|
31.8
|
1.0
|
C
|
D:CYS104
|
4.1
|
33.5
|
1.0
|
CD2
|
D:HIS77
|
4.2
|
19.4
|
1.0
|
NE2
|
D:HIS77
|
4.2
|
13.7
|
1.0
|
CA
|
D:CYS105
|
4.4
|
25.6
|
1.0
|
O
|
D:HOH703
|
4.4
|
7.7
|
1.0
|
O
|
D:CYS104
|
4.4
|
38.5
|
1.0
|
N
|
D:CYS78
|
4.4
|
21.3
|
1.0
|
CA
|
D:CYS104
|
4.5
|
24.4
|
1.0
|
CB
|
D:GLU102
|
4.6
|
30.2
|
1.0
|
CA
|
A:CYS83
|
4.6
|
18.5
|
1.0
|
C
|
D:HIS77
|
4.8
|
21.2
|
1.0
|
|
Zinc binding site 4 out
of 4 in 8quc
Go back to
Zinc Binding Sites List in 8quc
Zinc binding site 4 out
of 4 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn602
b:72.5
occ:1.00
|
ND1
|
C:HIS77
|
2.1
|
22.0
|
1.0
|
SG
|
C:CYS105
|
2.3
|
28.9
|
1.0
|
SG
|
D:CYS83
|
2.3
|
49.1
|
1.0
|
SG
|
C:CYS104
|
2.3
|
33.5
|
1.0
|
CG
|
C:HIS77
|
3.0
|
20.9
|
1.0
|
CE1
|
C:HIS77
|
3.1
|
16.1
|
1.0
|
CB
|
D:CYS83
|
3.2
|
11.9
|
1.0
|
CB
|
C:HIS77
|
3.3
|
15.7
|
1.0
|
CB
|
C:CYS104
|
3.8
|
25.9
|
1.0
|
CB
|
C:CYS105
|
3.8
|
28.4
|
1.0
|
CA
|
C:HIS77
|
4.0
|
9.3
|
1.0
|
N
|
C:CYS105
|
4.0
|
31.8
|
1.0
|
C
|
C:CYS104
|
4.1
|
33.5
|
1.0
|
CD2
|
C:HIS77
|
4.2
|
19.4
|
1.0
|
NE2
|
C:HIS77
|
4.2
|
13.7
|
1.0
|
CA
|
C:CYS105
|
4.4
|
25.6
|
1.0
|
O
|
C:HOH703
|
4.4
|
7.7
|
1.0
|
O
|
C:CYS104
|
4.4
|
38.5
|
1.0
|
N
|
C:CYS78
|
4.4
|
21.3
|
1.0
|
CA
|
C:CYS104
|
4.5
|
24.4
|
1.0
|
CB
|
C:GLU102
|
4.6
|
30.2
|
1.0
|
CA
|
D:CYS83
|
4.6
|
18.5
|
1.0
|
C
|
C:HIS77
|
4.8
|
21.2
|
1.0
|
N
|
D:CYS83
|
5.0
|
26.6
|
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: Thu Oct 31 10:16:44 2024
|