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Calcium in PDB 9oa8: Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309

Other elements in 9oa8:

The structure of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms
Potassium (K) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 (pdb code 9oa8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309, PDB code: 9oa8:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 9oa8

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Calcium binding site 1 out of 8 in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca202

b:47.3
occ:1.00
OE2 E:GLU31 2.3 26.8 1.0
OD1 E:ASP22 2.3 37.4 1.0
OD2 E:ASP24 2.4 34.1 1.0
O E:THR26 2.4 29.7 1.0
OD2 E:ASP22 2.4 37.4 1.0
OD1 E:ASP20 2.4 26.0 1.0
OD1 E:ASP24 2.4 34.1 1.0
OE1 E:GLU31 2.4 26.8 1.0
CG E:ASP22 2.6 37.4 1.0
CG E:ASP24 2.7 34.1 1.0
CD E:GLU31 2.7 26.8 1.0
CG E:ASP20 3.5 26.0 1.0
C E:THR26 3.6 29.7 1.0
CB E:ASP22 4.1 37.4 1.0
CB E:ASP24 4.1 34.1 1.0
CG E:GLU31 4.2 26.8 1.0
OD2 E:ASP20 4.3 26.0 1.0
CA E:ILE27 4.4 24.8 1.0
CA E:ASP20 4.4 26.0 1.0
N E:THR26 4.4 29.7 1.0
N E:ILE27 4.4 24.8 1.0
N E:ASP24 4.5 34.1 1.0
CB E:ASP20 4.5 26.0 1.0
CA E:THR26 4.6 29.7 1.0
N E:ASP22 4.7 37.4 1.0
N E:THR28 4.7 28.5 1.0
OG1 E:THR26 4.8 29.7 1.0
CA E:ASP24 4.9 34.1 1.0
C E:ASP20 4.9 26.0 1.0
CA E:ASP22 4.9 37.4 1.0
N E:GLY25 4.9 30.0 1.0
N E:GLY23 5.0 32.7 1.0
C E:ILE27 5.0 24.8 1.0

Calcium binding site 2 out of 8 in 9oa8

Go back to Calcium Binding Sites List in 9oa8
Calcium binding site 2 out of 8 in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca203

b:49.5
occ:1.00
OD1 E:ASP56 2.3 40.2 1.0
OE1 E:GLU67 2.3 29.9 1.0
OD2 E:ASP58 2.3 50.2 1.0
OD1 E:ASP58 2.4 50.2 1.0
OD1 E:ASN60 2.4 45.5 1.0
O E:THR62 2.4 38.8 1.0
OD2 E:ASP56 2.4 40.2 1.0
OE2 E:GLU67 2.4 29.9 1.0
CG E:ASP56 2.7 40.2 1.0
CG E:ASP58 2.7 50.2 1.0
CD E:GLU67 2.7 29.9 1.0
CG E:ASN60 3.5 45.5 1.0
C E:THR62 3.6 38.8 1.0
CB E:ASP58 4.1 50.2 1.0
CB E:ASP56 4.2 40.2 1.0
ND2 E:ASN60 4.2 45.5 1.0
CG E:GLU67 4.2 29.9 1.0
OD1 E:ASP64 4.3 27.5 1.0
OG1 E:THR62 4.4 38.8 1.0
CA E:ILE63 4.4 28.0 1.0
N E:ILE63 4.4 28.0 1.0
N E:THR62 4.5 38.8 1.0
N E:ASN60 4.5 45.5 1.0
CB E:ASN60 4.5 45.5 1.0
CA E:THR62 4.6 38.8 1.0
N E:ASP58 4.6 50.2 1.0
N E:GLY59 4.7 47.0 1.0
N E:ASP64 4.9 27.5 1.0
CA E:ASP56 4.9 40.2 1.0
CA E:ASP58 4.9 50.2 1.0
CG E:ASP64 4.9 27.5 1.0
CB E:GLU67 5.0 29.9 1.0

Calcium binding site 3 out of 8 in 9oa8

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Calcium binding site 3 out of 8 in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca202

b:42.8
occ:1.00
OD2 F:ASP22 2.4 37.1 1.0
OD2 F:ASP24 2.4 34.7 1.0
OD1 F:ASP22 2.4 37.1 1.0
OD1 F:ASP20 2.4 26.1 1.0
O F:THR26 2.4 28.9 1.0
OD1 F:ASP24 2.4 34.7 1.0
OE2 F:GLU31 2.4 23.2 1.0
CG F:ASP22 2.7 37.1 1.0
CG F:ASP24 2.7 34.7 1.0
CD F:GLU31 3.3 23.2 1.0
CG F:ASP20 3.6 26.1 1.0
C F:THR26 3.6 28.9 1.0
OE1 F:GLU31 3.9 23.2 1.0
OD2 F:ASP20 4.1 26.1 1.0
CB F:ASP22 4.2 37.1 1.0
CB F:ASP24 4.2 34.7 1.0
CG F:GLU31 4.2 23.2 1.0
CA F:ILE27 4.3 22.7 1.0
N F:ILE27 4.4 22.7 1.0
OG1 F:THR26 4.5 28.9 1.0
N F:THR26 4.5 28.9 1.0
N F:ASP24 4.6 34.7 1.0
CA F:THR26 4.6 28.9 1.0
CB F:ASP20 4.7 26.1 1.0
CA F:ASP20 4.7 26.1 1.0
N F:THR28 4.7 24.0 1.0
N F:ASP22 4.8 37.1 1.0
CA F:ASP24 4.9 34.7 1.0
C F:ILE27 5.0 22.7 1.0
CA F:ASP22 5.0 37.1 1.0

Calcium binding site 4 out of 8 in 9oa8

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Calcium binding site 4 out of 8 in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca203

b:41.0
occ:1.00
ND2 F:ASN60 2.3 37.9 1.0
OD1 F:ASP56 2.4 33.0 1.0
OE1 F:GLU67 2.4 25.2 1.0
OD2 F:ASP58 2.4 38.4 1.0
OE2 F:GLU67 2.4 25.2 1.0
O F:THR62 2.4 32.2 1.0
OD1 F:ASP58 2.4 38.4 1.0
OD2 F:ASP56 2.4 33.0 1.0
OD1 F:ASN60 2.5 37.9 1.0
OD1 F:ASP64 2.6 27.8 1.0
CD F:GLU67 2.6 25.2 1.0
CG F:ASN60 2.7 37.9 1.0
CG F:ASP56 2.7 33.0 1.0
CG F:ASP58 2.7 38.4 1.0
CG F:ASP64 3.3 27.8 1.0
C F:THR62 3.6 32.2 1.0
OD2 F:ASP64 3.7 27.8 1.0
N F:ASP64 3.8 27.8 1.0
CG F:GLU67 4.0 25.2 1.0
CA F:ILE63 4.1 25.0 1.0
CB F:ASP56 4.2 33.0 1.0
CB F:ASN60 4.2 37.9 1.0
CB F:ASP58 4.2 38.4 1.0
N F:ILE63 4.3 25.0 1.0
CB F:ASP64 4.4 27.8 1.0
C F:ILE63 4.4 25.0 1.0
CA F:ASP64 4.7 27.8 1.0
N F:THR62 4.7 32.2 1.0
N F:ASN60 4.7 37.9 1.0
CA F:THR62 4.8 32.2 1.0
N F:ASP58 4.8 38.4 1.0
CB F:GLU67 4.8 25.2 1.0
CA F:ASP56 4.8 33.0 1.0
OG1 F:THR62 5.0 32.2 1.0

Calcium binding site 5 out of 8 in 9oa8

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Calcium binding site 5 out of 8 in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca202

b:40.3
occ:1.00
C G:THR26 1.7 29.9 1.0
O G:THR26 1.7 29.9 1.0
N G:ILE27 2.3 25.2 1.0
OG1 G:THR26 2.4 29.9 1.0
OD1 G:ASP20 2.4 25.7 1.0
OD2 G:ASP22 2.5 32.9 1.0
OD1 G:ASP24 2.5 31.6 1.0
OD1 G:ASP22 2.6 32.9 1.0
CA G:THR26 2.6 29.9 1.0
OD2 G:ASP20 2.6 25.7 1.0
CG G:ASP20 2.7 25.7 1.0
CA G:ILE27 2.8 25.2 1.0
CG G:ASP22 2.9 32.9 1.0
N G:THR26 3.0 29.9 1.0
CB G:THR26 3.0 29.9 1.0
CG G:ASP24 3.5 31.6 1.0
C G:ILE27 3.8 25.2 1.0
OD2 G:ASP24 3.8 31.6 1.0
CB G:ASP20 4.0 25.7 1.0
CB G:ILE27 4.0 25.2 1.0
CG1 G:ILE27 4.0 25.2 1.0
CG2 G:THR26 4.2 29.9 1.0
C G:GLY25 4.2 27.9 1.0
CB G:ASP22 4.4 32.9 1.0
N G:THR28 4.4 26.2 1.0
O G:ILE27 4.5 25.2 1.0
N G:GLY25 4.8 27.9 1.0
N G:ASP24 4.9 31.6 1.0
CB G:ASP24 4.9 31.6 1.0
CA G:ASP20 4.9 25.7 1.0

Calcium binding site 6 out of 8 in 9oa8

Go back to Calcium Binding Sites List in 9oa8
Calcium binding site 6 out of 8 in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca203

b:39.1
occ:1.00
ND2 G:ASN60 2.3 41.8 1.0
OE2 G:GLU67 2.4 26.1 1.0
OD2 G:ASP58 2.4 43.5 1.0
OE1 G:GLU67 2.4 26.1 1.0
O G:THR62 2.4 36.0 1.0
OD1 G:ASP58 2.5 43.5 1.0
OD1 G:ASN60 2.5 41.8 1.0
OD1 G:ASP64 2.6 27.3 1.0
CG G:ASN60 2.6 41.8 1.0
CD G:GLU67 2.7 26.1 1.0
CG G:ASP58 2.7 43.5 1.0
CG G:ASP64 3.3 27.3 1.0
C G:THR62 3.6 36.0 1.0
OD2 G:ASP64 3.6 27.3 1.0
N G:ASP64 3.8 27.3 1.0
CB G:ASN60 4.1 41.8 1.0
CB G:ASP56 4.2 39.6 1.0
CA G:ILE63 4.2 26.2 1.0
CG G:GLU67 4.2 26.1 1.0
CB G:ASP58 4.2 43.5 1.0
N G:ILE63 4.3 26.2 1.0
CB G:ASP64 4.4 27.3 1.0
OG1 G:THR62 4.4 36.0 1.0
C G:ILE63 4.4 26.2 1.0
CA G:ASP64 4.7 27.3 1.0
N G:ASN60 4.7 41.8 1.0
CA G:THR62 4.7 36.0 1.0
N G:THR62 4.8 36.0 1.0
N G:ASP58 4.8 43.5 1.0
CB G:GLU67 5.0 26.1 1.0
CA G:ASN60 5.0 41.8 1.0
OD2 G:ASP56 5.0 39.6 1.0

Calcium binding site 7 out of 8 in 9oa8

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Calcium binding site 7 out of 8 in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca202

b:41.8
occ:1.00
N H:THR28 2.3 28.0 1.0
O H:THR26 2.3 26.2 1.0
OD2 H:ASP24 2.4 30.9 1.0
OD1 H:ASP20 2.4 22.4 1.0
OE2 H:GLU31 2.4 25.7 1.0
OD1 H:ASP22 2.5 31.4 1.0
OD2 H:ASP22 2.5 31.4 1.0
OE1 H:GLU31 2.5 25.7 1.0
CD H:GLU31 2.6 25.7 1.0
OD1 H:ASP24 2.7 30.9 1.0
CG H:ASP22 2.8 31.4 1.0
CG H:ASP24 2.9 30.9 1.0
C H:ILE27 3.0 22.8 1.0
CA H:ILE27 3.1 22.8 1.0
CG2 H:THR28 3.3 28.0 1.0
C H:THR26 3.3 26.2 1.0
CA H:THR28 3.4 28.0 1.0
CB H:THR28 3.4 28.0 1.0
N H:ILE27 3.6 22.8 1.0
CG H:ASP20 3.7 22.4 1.0
CG H:GLU31 3.8 25.7 1.0
O H:ILE27 4.1 22.8 1.0
CB H:ASP22 4.4 31.4 1.0
OD2 H:ASP20 4.4 22.4 1.0
CB H:ILE27 4.4 22.8 1.0
C H:THR28 4.4 28.0 1.0
CB H:ASP24 4.5 30.9 1.0
O H:THR28 4.5 28.0 1.0
CA H:THR26 4.6 26.2 1.0
CB H:GLU31 4.7 25.7 1.0
CG2 H:ILE27 4.7 22.8 1.0
CA H:ASP20 4.7 22.4 1.0
CB H:ASP20 4.7 22.4 1.0
N H:THR26 4.8 26.2 1.0
OG1 H:THR28 4.9 28.0 1.0

Calcium binding site 8 out of 8 in 9oa8

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Calcium binding site 8 out of 8 in the Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Cryo-Em Structure of KCA3.1/Calmodulin Channel in Complex with NS309 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca203

b:44.5
occ:1.00
ND2 H:ASN60 2.2 47.0 1.0
OE1 H:GLU67 2.3 26.4 1.0
OD1 H:ASP58 2.3 52.4 1.0
OD1 H:ASN60 2.4 47.0 1.0
O H:THR62 2.4 36.8 1.0
OD2 H:ASP58 2.4 52.4 1.0
OE2 H:GLU67 2.4 26.4 1.0
OD2 H:ASP56 2.4 40.1 1.0
CG H:ASN60 2.6 47.0 1.0
CD H:GLU67 2.7 26.4 1.0
CG H:ASP58 2.7 52.4 1.0
CG H:ASP56 3.2 40.1 1.0
CB H:ASP56 3.3 40.1 1.0
C H:THR62 3.6 36.8 1.0
CB H:ASN60 4.0 47.0 1.0
CG H:GLU67 4.1 26.4 1.0
CB H:ASP58 4.1 52.4 1.0
CA H:ILE63 4.3 24.7 1.0
N H:ILE63 4.4 24.7 1.0
OD1 H:ASP56 4.4 40.1 1.0
N H:THR62 4.5 36.8 1.0
OD1 H:ASP64 4.5 26.8 1.0
N H:ASN60 4.6 47.0 1.0
N H:ASP64 4.7 26.8 1.0
CA H:THR62 4.7 36.8 1.0
CA H:ASP56 4.8 40.1 1.0
N H:ASP58 4.8 52.4 1.0
CA H:ASN60 4.9 47.0 1.0
CB H:GLU67 4.9 26.4 1.0
CG H:ASP64 5.0 26.8 1.0
OG1 H:THR62 5.0 36.8 1.0
CA H:ASP58 5.0 52.4 1.0

Reference:

M.Zhang, Y.W.Nam, A.Ramanishka, Y.Xu, R.M.Yasuda, D.Im, M.Cui, G.Chandy, H.Wulff. Structural Basis For the Subtype-Selectivity of KCA2.2 Channel Activators. Res Sq 2025.
ISSN: ESSN 2693-5015
PubMed: 40470184
DOI: 10.21203/RS.3.RS-6568445/V1
Page generated: Thu Jul 10 10:25:51 2025

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