Calcium in PDB 8bqe: In Situ Structure of the Caulobacter Crescentus S-Layer

Calcium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Calcium atom in the In Situ Structure of the Caulobacter Crescentus S-Layer (pdb code 8bqe). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 18 binding sites of Calcium where determined in the In Situ Structure of the Caulobacter Crescentus S-Layer, PDB code: 8bqe:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 18 in 8bqe

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Calcium binding site 1 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1101

b:31.9
occ:1.00
 OD2 B:ASP90 2.5 33.6 1.0
O B:SER84 2.8 32.1 1.0
O B:ASN87 2.9 34.9 1.0
CG B:ASP90 3.4 33.6 1.0
OD2 B:ASP93 3.6 41.8 1.0
OD1 B:ASP90 3.7 33.6 1.0
O B:THR88 4.0 39.6 1.0
C B:SER84 4.0 32.1 1.0
C B:ASN87 4.1 34.9 1.0
CG B:ASP93 4.3 41.8 1.0
C B:THR88 4.4 39.6 1.0
N B:SER84 4.4 32.1 1.0
CA B:THR88 4.5 39.6 1.0
CB B:ASP93 4.7 41.8 1.0
CB B:ASP90 4.7 33.6 1.0
N B:THR88 4.8 39.6 1.0
CA B:THR85 4.9 38.2 1.0
N B:THR85 4.9 38.2 1.0
CA B:SER84 4.9 32.1 1.0

Calcium binding site 2 out of 18 in 8bqe

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Calcium binding site 2 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1102

b:14.7
occ:1.00
 O B:ASP83 2.6 25.8 1.0
O B:LEU17 2.7 13.3 1.0
OD2 B:ASP83 2.7 25.8 1.0
OD1 B:ASP79 3.4 22.1 1.0
OD2 B:ASP79 3.4 22.1 1.0
CG B:ASP83 3.7 25.8 1.0
C B:ASP83 3.7 25.8 1.0
C B:LEU17 3.7 13.3 1.0
CG B:ASP79 3.7 22.1 1.0
CB B:ASP83 3.9 25.8 1.0
CA B:GLY18 4.3 14.5 1.0
N B:GLY18 4.4 14.5 1.0
CA B:ASP83 4.4 25.8 1.0
CB B:LEU17 4.5 13.3 1.0
N B:SER84 4.6 32.1 1.0
CA B:LEU17 4.6 13.3 1.0
OD1 B:ASP83 4.8 25.8 1.0
CA B:SER84 4.8 32.1 1.0
C B:GLY18 5.0 14.5 1.0
O B:ASP79 5.0 22.1 1.0

Calcium binding site 3 out of 18 in 8bqe

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Calcium binding site 3 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1103

b:9.6
occ:1.00
 OD2 B:ASP225 2.4 9.5 1.0
OD1 B:ASP222 2.5 7.7 1.0
O B:ASP222 2.5 7.7 1.0
OD1 B:ASP225 2.9 9.5 1.0
CG B:ASP225 2.9 9.5 1.0
O B:ALA227 3.1 12.0 1.0
C B:ASP222 3.5 7.7 1.0
CG B:ASP222 3.6 7.7 1.0
CA B:ASP222 3.9 7.7 1.0
N B:SER229 4.2 11.8 1.0
CB B:ASP225 4.3 9.5 1.0
C B:ALA227 4.3 12.0 1.0
CB B:ASP222 4.4 7.7 1.0
CB B:SER229 4.5 11.8 1.0
OD2 B:ASP222 4.6 7.7 1.0
N B:LEU223 4.8 6.5 1.0
C B:LEU228 4.8 11.9 1.0
CA B:SER229 4.8 11.8 1.0
CA B:LEU228 4.8 11.9 1.0
O B:ASN221 4.9 5.2 1.0

Calcium binding site 4 out of 18 in 8bqe

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Calcium binding site 4 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1101

b:25.3
occ:1.00
 OD2 C:ASP90 2.5 30.3 1.0
O C:SER84 2.8 31.4 1.0
O C:ASN87 2.9 32.0 1.0
CG C:ASP90 3.4 30.3 1.0
OD2 C:ASP93 3.6 37.4 1.0
OD1 C:ASP90 3.7 30.3 1.0
O C:THR88 4.0 35.5 1.0
C C:SER84 4.0 31.4 1.0
C C:ASN87 4.1 32.0 1.0
CG C:ASP93 4.3 37.4 1.0
C C:THR88 4.4 35.5 1.0
N C:SER84 4.4 31.4 1.0
CA C:THR88 4.5 35.5 1.0
CB C:ASP93 4.7 37.4 1.0
CB C:ASP90 4.7 30.3 1.0
N C:THR88 4.8 35.5 1.0
CA C:THR85 4.9 35.2 1.0
N C:THR85 4.9 35.2 1.0
CA C:SER84 4.9 31.4 1.0

Calcium binding site 5 out of 18 in 8bqe

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Calcium binding site 5 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1102

b:16.3
occ:1.00
 O C:ASP83 2.6 25.1 1.0
O C:LEU17 2.7 15.1 1.0
OD2 C:ASP83 2.7 25.1 1.0
OD1 C:ASP79 3.4 22.3 1.0
OD2 C:ASP79 3.4 22.3 1.0
CG C:ASP83 3.7 25.1 1.0
C C:ASP83 3.7 25.1 1.0
C C:LEU17 3.7 15.1 1.0
CG C:ASP79 3.7 22.3 1.0
CB C:ASP83 3.9 25.1 1.0
CA C:GLY18 4.3 16.8 1.0
N C:GLY18 4.4 16.8 1.0
CA C:ASP83 4.4 25.1 1.0
CB C:LEU17 4.5 15.1 1.0
N C:SER84 4.6 31.4 1.0
CA C:LEU17 4.6 15.1 1.0
OD1 C:ASP83 4.8 25.1 1.0
CA C:SER84 4.8 31.4 1.0
C C:GLY18 5.0 16.8 1.0
O C:ASP79 5.0 22.3 1.0

Calcium binding site 6 out of 18 in 8bqe

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Calcium binding site 6 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1103

b:11.0
occ:1.00
 OD2 C:ASP225 2.4 9.1 1.0
OD1 C:ASP222 2.5 7.8 1.0
O C:ASP222 2.5 7.8 1.0
OD1 C:ASP225 2.9 9.1 1.0
CG C:ASP225 2.9 9.1 1.0
O C:ALA227 3.1 11.4 1.0
C C:ASP222 3.5 7.8 1.0
CG C:ASP222 3.6 7.8 1.0
CA C:ASP222 3.9 7.8 1.0
N C:SER229 4.2 13.4 1.0
CB C:ASP225 4.3 9.1 1.0
C C:ALA227 4.3 11.4 1.0
CB C:ASP222 4.4 7.8 1.0
CB C:SER229 4.5 13.4 1.0
OD2 C:ASP222 4.6 7.8 1.0
N C:LEU223 4.8 6.4 1.0
C C:LEU228 4.8 12.8 1.0
CA C:SER229 4.8 13.4 1.0
CA C:LEU228 4.8 12.8 1.0
O C:ASN221 4.9 4.9 1.0

Calcium binding site 7 out of 18 in 8bqe

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Calcium binding site 7 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1101

b:31.0
occ:1.00
 OD2 D:ASP90 2.5 31.9 1.0
O D:SER84 2.8 31.8 1.0
O D:ASN87 2.9 32.9 1.0
CG D:ASP90 3.4 31.9 1.0
OD2 D:ASP93 3.6 39.8 1.0
OD1 D:ASP90 3.7 31.9 1.0
O D:THR88 4.0 36.1 1.0
C D:SER84 4.0 31.8 1.0
C D:ASN87 4.1 32.9 1.0
CG D:ASP93 4.3 39.8 1.0
C D:THR88 4.4 36.1 1.0
N D:SER84 4.4 31.8 1.0
CA D:THR88 4.5 36.1 1.0
CB D:ASP93 4.7 39.8 1.0
CB D:ASP90 4.7 31.9 1.0
N D:THR88 4.8 36.1 1.0
CA D:THR85 4.9 37.6 1.0
N D:THR85 4.9 37.6 1.0
CA D:SER84 4.9 31.8 1.0

Calcium binding site 8 out of 18 in 8bqe

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Calcium binding site 8 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1102

b:11.1
occ:1.00
 O D:ASP83 2.6 24.9 1.0
O D:LEU17 2.7 14.1 1.0
OD2 D:ASP83 2.7 24.9 1.0
OD1 D:ASP79 3.4 21.0 1.0
OD2 D:ASP79 3.4 21.0 1.0
CG D:ASP83 3.7 24.9 1.0
C D:ASP83 3.7 24.9 1.0
C D:LEU17 3.7 14.1 1.0
CG D:ASP79 3.7 21.0 1.0
CB D:ASP83 3.9 24.9 1.0
CA D:GLY18 4.3 14.4 1.0
N D:GLY18 4.4 14.4 1.0
CA D:ASP83 4.4 24.9 1.0
CB D:LEU17 4.5 14.1 1.0
N D:SER84 4.6 31.8 1.0
CA D:LEU17 4.6 14.1 1.0
OD1 D:ASP83 4.8 24.9 1.0
CA D:SER84 4.8 31.8 1.0
C D:GLY18 5.0 14.4 1.0
O D:ASP79 5.0 21.0 1.0

Calcium binding site 9 out of 18 in 8bqe

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Calcium binding site 9 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1103

b:9.5
occ:1.00
 OD2 D:ASP225 2.4 11.1 1.0
OD1 D:ASP222 2.5 8.5 1.0
O D:ASP222 2.5 8.5 1.0
OD1 D:ASP225 2.9 11.1 1.0
CG D:ASP225 2.9 11.1 1.0
O D:ALA227 3.1 14.7 1.0
C D:ASP222 3.5 8.5 1.0
CG D:ASP222 3.6 8.5 1.0
CA D:ASP222 3.9 8.5 1.0
N D:SER229 4.2 15.3 1.0
CB D:ASP225 4.3 11.1 1.0
C D:ALA227 4.3 14.7 1.0
CB D:ASP222 4.4 8.5 1.0
CB D:SER229 4.5 15.3 1.0
OD2 D:ASP222 4.6 8.5 1.0
N D:LEU223 4.8 7.8 1.0
C D:LEU228 4.8 14.9 1.0
CA D:SER229 4.8 15.3 1.0
CA D:LEU228 4.8 14.9 1.0
O D:ASN221 4.9 5.3 1.0

Calcium binding site 10 out of 18 in 8bqe

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Calcium binding site 10 out of 18 in the In Situ Structure of the Caulobacter Crescentus S-Layer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of In Situ Structure of the Caulobacter Crescentus S-Layer within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca1101

b:33.4
occ:1.00
 OD2 E:ASP90 2.5 33.6 1.0
O E:SER84 2.8 32.0 1.0
O E:ASN87 2.9 34.6 1.0
CG E:ASP90 3.4 33.6 1.0
OD2 E:ASP93 3.6 42.0 1.0
OD1 E:ASP90 3.7 33.6 1.0
O E:THR88 4.0 39.5 1.0
C E:SER84 4.0 32.0 1.0
C E:ASN87 4.1 34.6 1.0
CG E:ASP93 4.3 42.0 1.0
C E:THR88 4.4 39.5 1.0
N E:SER84 4.4 32.0 1.0
CA E:THR88 4.5 39.5 1.0
CB E:ASP93 4.7 42.0 1.0
CB E:ASP90 4.7 33.6 1.0
N E:THR88 4.8 39.5 1.0
CA E:THR85 4.9 38.4 1.0
N E:THR85 4.9 38.4 1.0
CA E:SER84 4.9 32.0 1.0

Reference:

J.Zivanov, J.Oton, Z.Ke, A.Von Kugelgen, E.Pyle, K.Qu, D.Morado, D.Castano-Diez, G.Zanetti, T.A.M.Bharat, J.A.G.Briggs, S.H.W.Scheres. A Bayesian Approach to Single-Particle Electron Cryo-Tomography in Relion-4.0. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 36468689
DOI: 10.7554/ELIFE.83724
Page generated: Tue Apr 4 19:30:02 2023

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