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
Go back to
Calcium Binding Sites List in 8bqe
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 Sites List in 8bqe
Calcium binding site 2 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 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 Sites List in 8bqe
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 Sites List in 8bqe
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 Sites List in 8bqe
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 Sites List in 8bqe
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
Go back to
Calcium Binding Sites List in 8bqe
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
Go back to
Calcium Binding Sites List in 8bqe
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
Go back to
Calcium Binding Sites List in 8bqe
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
Go back to
Calcium Binding Sites List in 8bqe
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: Fri Jul 19 07:25:47 2024
|