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Calcium in PDB 3u6n: Open Structure of the Bk Channel Gating Ring

Protein crystallography data

The structure of Open Structure of the Bk Channel Gating Ring, PDB code: 3u6n was solved by P.Yuan, R.Mackinnon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.22 / 3.61
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 137.648, 210.816, 238.758, 90.00, 90.00, 90.00
R / Rfree (%) 26 / 28.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Open Structure of the Bk Channel Gating Ring (pdb code 3u6n). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Open Structure of the Bk Channel Gating Ring, PDB code: 3u6n:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 3u6n

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Calcium binding site 1 out of 8 in the Open Structure of the Bk Channel Gating Ring


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Open Structure of the Bk Channel Gating Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca2001

b:68.8
occ:1.00
O A:ASP896 2.4 95.4 1.0
OD1 A:ASP899 2.4 89.9 1.0
O A:GLN893 2.4 78.5 1.0
OD2 A:ASP901 2.7 0.1 1.0
OD1 A:ASP901 2.8 0.4 1.0
ND2 H:ASN449 3.0 98.1 1.0
OD1 H:ASN449 3.0 100.0 1.0
CG A:ASP901 3.1 0.5 1.0
CG H:ASN449 3.3 96.7 1.0
CG A:ASP899 3.5 91.5 1.0
C A:ASP896 3.5 98.4 1.0
C A:GLN893 3.6 76.6 1.0
CA A:GLN897 3.6 0.2 1.0
O A:ASP899 3.9 0.2 1.0
OD2 A:ASP899 3.9 91.0 1.0
N A:GLN897 4.0 1.0 1.0
C A:GLN897 4.1 0.8 1.0
N A:ASP899 4.3 0.9 1.0
CA A:GLN893 4.4 76.1 1.0
N A:ASP898 4.5 0.7 1.0
C A:ASP899 4.6 0.4 1.0
N A:PHE894 4.6 77.1 1.0
O A:GLN897 4.6 0.5 1.0
CB A:ASP901 4.6 0.4 1.0
CB A:ASP899 4.7 95.6 1.0
CB A:GLN897 4.7 0.7 1.0
CA A:ASP899 4.7 0.7 1.0
CA A:ASP896 4.8 98.9 1.0
CA A:PHE894 4.8 79.1 1.0
CB H:ASN449 4.8 92.9 1.0
C A:PHE894 4.9 79.7 1.0
O A:PHE894 4.9 79.3 1.0
O H:ASN449 4.9 92.1 1.0
CB A:GLN893 4.9 76.7 1.0
N A:ASP896 5.0 91.2 1.0

Calcium binding site 2 out of 8 in 3u6n

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Calcium binding site 2 out of 8 in the Open Structure of the Bk Channel Gating Ring


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Open Structure of the Bk Channel Gating Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2001

b:73.8
occ:1.00
OD1 B:ASP899 2.4 0.4 1.0
O B:ASP896 2.4 96.0 1.0
O B:GLN893 2.4 79.4 1.0
OD2 B:ASP901 2.7 99.6 1.0
ND2 G:ASN449 2.8 94.9 1.0
OD1 B:ASP901 2.8 0.0 1.0
OD1 G:ASN449 2.9 93.4 1.0
CG B:ASP901 3.1 0.9 1.0
CG G:ASN449 3.2 92.3 1.0
CG B:ASP899 3.4 0.8 1.0
C B:ASP896 3.5 0.9 1.0
C B:GLN893 3.6 77.7 1.0
CA B:GLN897 3.7 0.0 1.0
O B:ASP899 3.9 0.0 1.0
OD2 B:ASP899 3.9 0.5 1.0
N B:GLN897 4.0 0.5 1.0
C B:GLN897 4.1 0.0 1.0
N B:ASP899 4.3 0.6 1.0
CA B:GLN893 4.3 76.2 1.0
C B:ASP899 4.5 0.3 1.0
N B:ASP898 4.5 0.9 1.0
N B:PHE894 4.6 79.0 1.0
CB B:ASP901 4.6 0.6 1.0
CB G:ASN449 4.6 89.7 1.0
CB B:ASP899 4.6 0.9 1.0
O B:GLN897 4.7 0.6 1.0
CA B:ASP899 4.7 0.7 1.0
CA B:PHE894 4.7 83.4 1.0
O G:ASN449 4.7 90.8 1.0
CB B:GLN897 4.7 0.1 1.0
CA B:ASP896 4.8 0.9 1.0
C B:PHE894 4.8 85.3 1.0
O B:PHE894 4.8 88.1 1.0
CB B:GLN893 4.9 77.4 1.0
N B:ASP896 4.9 97.4 1.0

Calcium binding site 3 out of 8 in 3u6n

Go back to Calcium Binding Sites List in 3u6n
Calcium binding site 3 out of 8 in the Open Structure of the Bk Channel Gating Ring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Open Structure of the Bk Channel Gating Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca2001

b:61.0
occ:1.00
OD1 C:ASP899 2.3 0.1 1.0
O C:ASP896 2.4 83.3 1.0
O C:GLN893 2.4 78.7 1.0
OD2 C:ASP901 2.6 0.6 1.0
ND2 F:ASN449 2.7 0.1 1.0
OD1 C:ASP901 2.8 0.4 1.0
OD1 F:ASN449 3.1 0.4 1.0
CG C:ASP901 3.1 0.4 1.0
CG F:ASN449 3.2 0.6 1.0
CG C:ASP899 3.4 99.1 1.0
C C:ASP896 3.5 86.8 1.0
C C:GLN893 3.6 75.4 1.0
CA C:GLN897 3.6 93.6 1.0
O C:ASP899 3.9 0.3 1.0
OD2 C:ASP899 3.9 96.9 1.0
N C:GLN897 4.0 90.1 1.0
C C:GLN897 4.1 95.8 1.0
N C:ASP899 4.3 0.8 1.0
CA C:GLN893 4.3 75.1 1.0
N C:ASP898 4.5 0.4 1.0
C C:ASP899 4.5 0.6 1.0
N C:PHE894 4.6 71.4 1.0
CB C:ASP901 4.6 0.0 1.0
O C:GLN897 4.6 98.7 1.0
CB C:ASP899 4.6 98.7 1.0
CB F:ASN449 4.7 0.4 1.0
CA C:ASP899 4.7 0.1 1.0
CB C:GLN897 4.7 95.2 1.0
CA C:ASP896 4.7 87.6 1.0
CA C:PHE894 4.7 69.2 1.0
C C:PHE894 4.9 71.0 1.0
O C:PHE894 4.9 71.6 1.0
CB C:GLN893 4.9 77.1 1.0
N C:ASP896 4.9 80.6 1.0
O F:ASN449 5.0 0.7 1.0

Calcium binding site 4 out of 8 in 3u6n

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Calcium binding site 4 out of 8 in the Open Structure of the Bk Channel Gating Ring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Open Structure of the Bk Channel Gating Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca2001

b:50.9
occ:1.00
O D:GLN893 2.3 64.2 1.0
O D:ASP896 2.4 89.7 1.0
OD1 D:ASP899 2.5 94.2 1.0
OD2 D:ASP901 2.7 94.9 1.0
OD1 C:ASN449 2.7 63.4 1.0
OD1 D:ASP901 2.9 0.8 1.0
ND2 C:ASN449 3.0 66.3 1.0
CG D:ASP901 3.1 99.3 1.0
CG C:ASN449 3.3 64.6 1.0
C D:GLN893 3.5 63.0 1.0
C D:ASP896 3.5 94.3 1.0
CG D:ASP899 3.5 94.4 1.0
CA D:GLN897 3.6 0.6 1.0
OD2 D:ASP899 4.0 95.8 1.0
N D:GLN897 4.0 99.7 1.0
O D:ASP899 4.0 0.6 1.0
C D:GLN897 4.2 0.8 1.0
CA D:GLN893 4.3 62.0 1.0
N D:PHE894 4.4 64.7 1.0
N D:ASP899 4.4 97.5 1.0
CA D:PHE894 4.6 68.2 1.0
N D:ASP898 4.6 0.2 1.0
CB D:ASP901 4.6 99.2 1.0
O D:GLN897 4.7 0.4 1.0
CB D:GLN897 4.7 1.0 1.0
C D:ASP899 4.7 0.2 1.0
C D:PHE894 4.7 70.7 1.0
O D:PHE894 4.7 73.9 1.0
CA D:ASP896 4.8 94.8 1.0
CB C:ASN449 4.8 64.9 1.0
CB D:ASP899 4.8 95.1 1.0
CB D:GLN893 4.8 62.5 1.0
CA D:ASP899 4.8 97.2 1.0
O C:ASN449 4.8 65.5 1.0
N D:ASP896 4.9 87.0 1.0

Calcium binding site 5 out of 8 in 3u6n

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Calcium binding site 5 out of 8 in the Open Structure of the Bk Channel Gating Ring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Open Structure of the Bk Channel Gating Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca2001

b:57.3
occ:1.00
OD1 E:ASP899 2.3 88.5 1.0
O E:ASP896 2.4 86.2 1.0
O E:GLN893 2.4 66.7 1.0
ND2 D:ASN449 2.6 0.4 1.0
OD2 E:ASP901 2.7 81.5 1.0
OD1 E:ASP901 2.8 85.9 1.0
CG E:ASP901 3.1 84.8 1.0
OD1 D:ASN449 3.3 99.7 1.0
CG D:ASN449 3.4 99.2 1.0
CG E:ASP899 3.4 88.3 1.0
C E:ASP896 3.5 89.8 1.0
C E:GLN893 3.6 64.3 1.0
CA E:GLN897 3.6 97.6 1.0
OD2 E:ASP899 3.9 88.9 1.0
O E:ASP899 3.9 90.0 1.0
N E:GLN897 4.0 93.2 1.0
C E:GLN897 4.1 97.5 1.0
N E:ASP899 4.3 88.9 1.0
CA E:GLN893 4.4 64.8 1.0
N E:ASP898 4.5 95.6 1.0
C E:ASP899 4.5 86.3 1.0
CB E:ASP901 4.6 87.3 1.0
N E:PHE894 4.6 63.5 1.0
CB E:ASP899 4.6 86.4 1.0
O E:GLN897 4.6 99.5 1.0
CA E:ASP899 4.7 86.0 1.0
CB E:GLN897 4.7 0.9 1.0
CA E:ASP896 4.8 90.8 1.0
CA E:PHE894 4.8 64.5 1.0
CB D:ASN449 4.8 96.6 1.0
C E:PHE894 4.9 66.7 1.0
O E:PHE894 4.9 67.0 1.0
CB E:GLN893 4.9 65.3 1.0
N E:ASP896 5.0 84.5 1.0

Calcium binding site 6 out of 8 in 3u6n

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Calcium binding site 6 out of 8 in the Open Structure of the Bk Channel Gating Ring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Open Structure of the Bk Channel Gating Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca2001

b:72.3
occ:1.00
OD1 F:ASP899 2.4 0.4 1.0
O F:ASP896 2.4 97.2 1.0
O F:GLN893 2.4 79.2 1.0
OD2 F:ASP901 2.7 0.4 1.0
OD1 E:ASN449 2.8 84.0 1.0
OD1 F:ASP901 2.8 0.2 1.0
ND2 E:ASN449 2.9 82.3 1.0
CG F:ASP901 3.1 0.6 1.0
CG E:ASN449 3.2 82.0 1.0
CG F:ASP899 3.4 0.5 1.0
C F:ASP896 3.5 96.8 1.0
C F:GLN893 3.6 78.1 1.0
CA F:GLN897 3.6 0.5 1.0
O F:ASP899 3.9 0.1 1.0
OD2 F:ASP899 3.9 0.5 1.0
N F:GLN897 4.0 0.1 1.0
C F:GLN897 4.1 0.8 1.0
N F:ASP899 4.3 0.2 1.0
CA F:GLN893 4.4 77.6 1.0
N F:ASP898 4.5 0.8 1.0
C F:ASP899 4.5 0.3 1.0
N F:PHE894 4.6 77.6 1.0
CB F:ASP901 4.6 0.5 1.0
CB F:ASP899 4.6 0.7 1.0
O F:GLN897 4.6 0.9 1.0
CB E:ASN449 4.7 80.0 1.0
O E:ASN449 4.7 85.2 1.0
CA F:ASP899 4.7 0.1 1.0
CB F:GLN897 4.7 0.1 1.0
CA F:PHE894 4.7 79.3 1.0
CA F:ASP896 4.8 92.9 1.0
C F:PHE894 4.9 80.5 1.0
O F:PHE894 4.9 82.6 1.0
CB F:GLN893 4.9 78.9 1.0
N F:ASP896 5.0 87.0 1.0

Calcium binding site 7 out of 8 in 3u6n

Go back to Calcium Binding Sites List in 3u6n
Calcium binding site 7 out of 8 in the Open Structure of the Bk Channel Gating Ring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Open Structure of the Bk Channel Gating Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca2001

b:57.8
occ:1.00
O G:GLN893 2.3 79.3 1.0
O G:ASP896 2.4 99.6 1.0
OD1 G:ASP899 2.4 0.8 1.0
ND2 A:ASN449 2.5 0.4 1.0
OD2 G:ASP901 2.6 86.4 1.0
OD1 G:ASP901 2.8 95.6 1.0
CG G:ASP901 3.1 91.4 1.0
OD1 A:ASN449 3.2 0.9 1.0
CG A:ASN449 3.2 0.8 1.0
C G:GLN893 3.4 76.9 1.0
CG G:ASP899 3.5 1.0 1.0
C G:ASP896 3.5 0.6 1.0
CA G:GLN897 3.7 0.4 1.0
OD2 G:ASP899 3.9 0.8 1.0
O G:ASP899 4.0 97.5 1.0
N G:GLN897 4.1 0.6 1.0
C G:GLN897 4.2 0.3 1.0
CA G:GLN893 4.2 75.8 1.0
N G:PHE894 4.4 75.5 1.0
N G:ASP899 4.4 0.9 1.0
CB G:ASP901 4.6 93.2 1.0
CA G:PHE894 4.6 76.1 1.0
N G:ASP898 4.6 0.6 1.0
C G:ASP899 4.7 98.3 1.0
CB A:ASN449 4.7 0.9 1.0
O G:GLN897 4.7 0.4 1.0
C G:PHE894 4.7 78.9 1.0
O G:PHE894 4.7 80.0 1.0
CB G:ASP899 4.7 0.6 1.0
CB G:GLN897 4.7 1.0 1.0
CB G:GLN893 4.8 76.0 1.0
CA G:ASP896 4.8 0.4 1.0
CA G:ASP899 4.8 0.5 1.0
N G:ASP896 4.9 0.1 1.0

Calcium binding site 8 out of 8 in 3u6n

Go back to Calcium Binding Sites List in 3u6n
Calcium binding site 8 out of 8 in the Open Structure of the Bk Channel Gating Ring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Open Structure of the Bk Channel Gating Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca2001

b:82.3
occ:1.00
OD1 H:ASP899 2.2 0.3 1.0
O H:ASP896 2.3 0.8 1.0
O H:GLN893 2.3 91.8 1.0
ND2 B:ASN449 2.5 0.7 1.0
OD2 H:ASP901 2.6 0.9 1.0
OD1 H:ASP901 2.9 0.5 1.0
OD1 B:ASN449 3.1 0.3 1.0
CG H:ASP901 3.1 0.4 1.0
CG B:ASN449 3.2 0.6 1.0
CG H:ASP899 3.3 0.2 1.0
C H:ASP896 3.4 0.6 1.0
C H:GLN893 3.5 89.4 1.0
CA H:GLN897 3.6 0.7 1.0
OD2 H:ASP899 3.7 0.4 1.0
O H:ASP899 3.9 0.8 1.0
N H:GLN897 4.0 0.5 1.0
C H:GLN897 4.1 0.9 1.0
N H:ASP899 4.3 0.2 1.0
CA H:GLN893 4.3 88.5 1.0
C H:ASP899 4.5 0.9 1.0
N H:ASP898 4.5 0.6 1.0
N H:PHE894 4.5 88.1 1.0
CB H:ASP899 4.5 1.0 1.0
CB H:ASP901 4.6 0.8 1.0
CA H:ASP899 4.6 0.8 1.0
CB B:ASN449 4.6 0.5 1.0
O H:GLN897 4.7 0.6 1.0
CA H:ASP896 4.7 0.7 1.0
CA H:PHE894 4.7 88.7 1.0
CB H:GLN897 4.8 0.4 1.0
C H:PHE894 4.8 91.0 1.0
CB H:GLN893 4.9 90.0 1.0
O H:PHE894 4.9 92.3 1.0
N H:ASP896 4.9 0.1 1.0

Reference:

P.Yuan, M.D.Leonetti, Y.Hsiung, R.Mackinnon. Open Structure of the Ca(2+) Gating Ring in the High-Conductance Ca(2+)-Activated K(+) Channel. Nature V. 481 94 2011.
ISSN: ISSN 0028-0836
PubMed: 22139424
DOI: 10.1038/NATURE10670
Page generated: Tue Jul 8 17:10:16 2025

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