Calcium in PDB 3hvd: The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Protein crystallography data
The structure of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes, PDB code: 3hvd
was solved by
A.F.Kintzer,
K.C.Dong,
J.M.Berger,
B.A.Krantz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.27 /
3.21
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
125.602,
125.670,
125.823,
106.64,
110.82,
110.98
|
R / Rfree (%)
|
21 /
24.9
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Calcium atom in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
(pdb code 3hvd). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the
The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes, PDB code: 3hvd:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 1 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca736
b:35.9
occ:1.00
|
O
|
A:HOH739
|
1.9
|
19.6
|
1.0
|
O
|
A:ILE183
|
2.4
|
36.8
|
1.0
|
OD1
|
A:ASP179
|
2.4
|
33.0
|
1.0
|
OD1
|
A:ASP177
|
2.4
|
50.8
|
1.0
|
OE2
|
A:GLU188
|
2.4
|
29.2
|
1.0
|
OD1
|
A:ASP181
|
2.4
|
35.4
|
1.0
|
CG
|
A:ASP179
|
3.1
|
39.2
|
1.0
|
OD2
|
A:ASP179
|
3.2
|
48.3
|
1.0
|
CD
|
A:GLU188
|
3.5
|
33.3
|
1.0
|
C
|
A:ILE183
|
3.5
|
42.5
|
1.0
|
CG
|
A:ASP177
|
3.5
|
50.6
|
1.0
|
CG
|
A:ASP181
|
3.6
|
49.5
|
1.0
|
O
|
A:PRO223
|
4.0
|
13.5
|
1.0
|
CA
|
A:ASP177
|
4.1
|
27.0
|
1.0
|
C
|
A:PRO184
|
4.2
|
30.6
|
1.0
|
OD2
|
A:ASP181
|
4.2
|
69.9
|
1.0
|
OE1
|
A:GLU188
|
4.2
|
30.1
|
1.0
|
N
|
A:ASP181
|
4.2
|
35.9
|
1.0
|
CA
|
A:CA737
|
4.2
|
20.4
|
1.0
|
O
|
A:PRO184
|
4.2
|
27.4
|
1.0
|
CA
|
A:PRO223
|
4.3
|
18.1
|
1.0
|
OD1
|
A:ASP185
|
4.3
|
36.8
|
1.0
|
C
|
A:ASP177
|
4.3
|
30.9
|
1.0
|
CB
|
A:ASP177
|
4.4
|
34.9
|
1.0
|
OD2
|
A:ASP177
|
4.4
|
45.9
|
1.0
|
N
|
A:PRO184
|
4.4
|
30.2
|
1.0
|
CA
|
A:ILE183
|
4.4
|
43.7
|
1.0
|
CG
|
A:GLU188
|
4.5
|
28.2
|
1.0
|
N
|
A:ASN180
|
4.5
|
26.0
|
1.0
|
CA
|
A:PRO184
|
4.5
|
28.6
|
1.0
|
C
|
A:PRO223
|
4.5
|
22.2
|
1.0
|
CB
|
A:ILE183
|
4.5
|
32.0
|
1.0
|
N
|
A:ASP179
|
4.5
|
37.0
|
1.0
|
N
|
A:ILE183
|
4.5
|
53.5
|
1.0
|
N
|
A:ASP185
|
4.5
|
30.2
|
1.0
|
CB
|
A:ASP179
|
4.5
|
37.8
|
1.0
|
N
|
A:ARG178
|
4.6
|
9.7
|
1.0
|
CB
|
A:ASP181
|
4.7
|
41.1
|
1.0
|
CA
|
A:ASP181
|
4.8
|
41.8
|
1.0
|
O
|
A:ASP177
|
4.8
|
43.7
|
1.0
|
CA
|
A:ASP185
|
4.9
|
25.1
|
1.0
|
C
|
A:ASP181
|
4.9
|
36.5
|
1.0
|
CA
|
A:ASP179
|
4.9
|
38.7
|
1.0
|
C
|
A:ASP179
|
5.0
|
34.8
|
1.0
|
|
Calcium binding site 2 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 2 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca737
b:20.4
occ:1.00
|
OD2
|
A:ASP179
|
2.4
|
48.3
|
1.0
|
OD2
|
A:ASP235
|
2.4
|
40.6
|
1.0
|
OD2
|
A:ASP181
|
2.4
|
69.9
|
1.0
|
OE1
|
A:GLU188
|
2.4
|
30.1
|
1.0
|
O
|
A:SER222
|
2.4
|
31.1
|
1.0
|
O
|
A:LYS225
|
2.4
|
34.1
|
1.0
|
CD
|
A:GLU188
|
3.1
|
33.3
|
1.0
|
OE2
|
A:GLU188
|
3.1
|
29.2
|
1.0
|
CG
|
A:ASP179
|
3.2
|
39.2
|
1.0
|
CG
|
A:ASP181
|
3.2
|
49.5
|
1.0
|
CG
|
A:ASP235
|
3.3
|
37.5
|
1.0
|
C
|
A:LYS225
|
3.5
|
18.6
|
1.0
|
OD1
|
A:ASP181
|
3.5
|
35.4
|
1.0
|
C
|
A:SER222
|
3.6
|
27.6
|
1.0
|
CB
|
A:ASP235
|
3.8
|
24.2
|
1.0
|
OD1
|
A:ASP179
|
3.8
|
33.0
|
1.0
|
CB
|
A:ASP179
|
4.2
|
37.8
|
1.0
|
N
|
A:LYS225
|
4.2
|
32.0
|
1.0
|
CA
|
A:CA736
|
4.2
|
35.9
|
1.0
|
OD1
|
A:ASP235
|
4.3
|
42.5
|
1.0
|
OG
|
A:SER221
|
4.3
|
30.5
|
1.0
|
OG1
|
A:THR228
|
4.3
|
40.5
|
1.0
|
N
|
A:TRP226
|
4.3
|
21.1
|
1.0
|
CA
|
A:LYS225
|
4.4
|
21.6
|
1.0
|
N
|
A:SER222
|
4.4
|
23.3
|
1.0
|
N
|
A:PRO223
|
4.4
|
33.0
|
1.0
|
CA
|
A:TRP226
|
4.4
|
14.3
|
1.0
|
CA
|
A:PRO223
|
4.5
|
18.1
|
1.0
|
O
|
A:TRP226
|
4.5
|
25.0
|
1.0
|
CB
|
A:ASP181
|
4.5
|
41.1
|
1.0
|
C
|
A:TRP226
|
4.5
|
21.2
|
1.0
|
CA
|
A:SER222
|
4.5
|
19.2
|
1.0
|
CG
|
A:GLU188
|
4.6
|
28.2
|
1.0
|
CB
|
A:SER221
|
4.6
|
22.6
|
1.0
|
C
|
A:PRO223
|
4.7
|
22.2
|
1.0
|
N
|
A:GLU224
|
4.9
|
32.2
|
1.0
|
CB
|
A:LYS225
|
5.0
|
5.1
|
1.0
|
O
|
A:HOH739
|
5.0
|
19.6
|
1.0
|
|
Calcium binding site 3 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 3 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca736
b:56.0
occ:1.00
|
O
|
B:HOH739
|
1.9
|
65.7
|
1.0
|
O
|
B:ILE183
|
2.4
|
48.0
|
1.0
|
OD1
|
B:ASP177
|
2.4
|
55.0
|
1.0
|
OE2
|
B:GLU188
|
2.4
|
28.5
|
1.0
|
OD1
|
B:ASP179
|
2.4
|
37.1
|
1.0
|
OD1
|
B:ASP181
|
2.4
|
44.6
|
1.0
|
CG
|
B:ASP179
|
3.2
|
39.5
|
1.0
|
CG
|
B:ASP181
|
3.3
|
48.8
|
1.0
|
OD2
|
B:ASP179
|
3.3
|
39.1
|
1.0
|
OD2
|
B:ASP181
|
3.5
|
46.8
|
1.0
|
C
|
B:ILE183
|
3.6
|
52.2
|
1.0
|
CG
|
B:ASP177
|
3.6
|
57.0
|
1.0
|
CD
|
B:GLU188
|
3.6
|
36.0
|
1.0
|
OD1
|
B:ASP185
|
3.9
|
31.8
|
1.0
|
CA
|
B:ASP177
|
4.2
|
32.9
|
1.0
|
O
|
B:PRO223
|
4.2
|
24.4
|
1.0
|
CA
|
B:CA737
|
4.2
|
20.5
|
1.0
|
N
|
B:ASN180
|
4.3
|
16.6
|
1.0
|
N
|
B:ASP179
|
4.3
|
34.3
|
1.0
|
C
|
B:ASP177
|
4.3
|
31.8
|
1.0
|
N
|
B:ILE183
|
4.3
|
51.9
|
1.0
|
N
|
B:ASP181
|
4.4
|
39.0
|
1.0
|
N
|
B:ARG178
|
4.4
|
15.9
|
1.0
|
CA
|
B:ILE183
|
4.4
|
42.8
|
1.0
|
OE1
|
B:GLU188
|
4.4
|
46.6
|
1.0
|
CA
|
B:PRO223
|
4.4
|
25.0
|
1.0
|
N
|
B:ASP185
|
4.4
|
29.9
|
1.0
|
C
|
B:PRO184
|
4.4
|
36.3
|
1.0
|
OD2
|
B:ASP177
|
4.5
|
50.5
|
1.0
|
CB
|
B:ASP177
|
4.5
|
50.5
|
1.0
|
CB
|
B:ASP179
|
4.5
|
31.8
|
1.0
|
N
|
B:PRO184
|
4.5
|
33.2
|
1.0
|
CG
|
B:GLU188
|
4.6
|
29.8
|
1.0
|
C
|
B:PRO223
|
4.6
|
27.5
|
1.0
|
CB
|
B:ILE183
|
4.6
|
30.8
|
1.0
|
CB
|
B:ASP181
|
4.6
|
51.3
|
1.0
|
CA
|
B:PRO184
|
4.6
|
30.1
|
1.0
|
CA
|
B:ASP179
|
4.8
|
32.1
|
1.0
|
CA
|
B:ASP185
|
4.8
|
24.5
|
1.0
|
O
|
B:PRO184
|
4.8
|
26.3
|
1.0
|
C
|
B:ASP179
|
4.9
|
25.3
|
1.0
|
O
|
B:ASP177
|
4.9
|
44.1
|
1.0
|
CA
|
B:ASP181
|
5.0
|
46.0
|
1.0
|
|
Calcium binding site 4 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 4 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca737
b:20.5
occ:1.00
|
OD2
|
B:ASP179
|
2.4
|
39.1
|
1.0
|
OE1
|
B:GLU188
|
2.4
|
46.6
|
1.0
|
O
|
B:LYS225
|
2.4
|
26.3
|
1.0
|
OD2
|
B:ASP235
|
2.4
|
43.7
|
1.0
|
OD2
|
B:ASP181
|
2.4
|
46.8
|
1.0
|
O
|
B:SER222
|
2.4
|
40.4
|
1.0
|
CD
|
B:GLU188
|
3.1
|
36.0
|
1.0
|
OE2
|
B:GLU188
|
3.1
|
28.5
|
1.0
|
CG
|
B:ASP179
|
3.3
|
39.5
|
1.0
|
C
|
B:LYS225
|
3.5
|
26.5
|
1.0
|
CG
|
B:ASP235
|
3.5
|
53.3
|
1.0
|
C
|
B:SER222
|
3.5
|
30.6
|
1.0
|
CG
|
B:ASP181
|
3.6
|
48.8
|
1.0
|
OD1
|
B:ASP179
|
3.7
|
37.1
|
1.0
|
CB
|
B:ASP235
|
4.0
|
42.7
|
1.0
|
N
|
B:LYS225
|
4.2
|
36.5
|
1.0
|
CA
|
B:CA736
|
4.2
|
56.0
|
1.0
|
OD1
|
B:ASP181
|
4.2
|
44.6
|
1.0
|
N
|
B:PRO223
|
4.3
|
29.2
|
1.0
|
CA
|
B:PRO223
|
4.3
|
25.0
|
1.0
|
N
|
B:TRP226
|
4.3
|
36.6
|
1.0
|
O
|
B:TRP226
|
4.4
|
54.0
|
1.0
|
CA
|
B:LYS225
|
4.4
|
29.2
|
1.0
|
C
|
B:TRP226
|
4.4
|
38.2
|
1.0
|
OG1
|
B:THR228
|
4.4
|
40.8
|
1.0
|
CB
|
B:ASP179
|
4.4
|
31.8
|
1.0
|
N
|
B:SER222
|
4.4
|
23.1
|
1.0
|
CA
|
B:TRP226
|
4.4
|
27.3
|
1.0
|
OG
|
B:SER221
|
4.4
|
25.8
|
1.0
|
CA
|
B:SER222
|
4.5
|
25.5
|
1.0
|
C
|
B:PRO223
|
4.6
|
27.5
|
1.0
|
OD1
|
B:ASP235
|
4.6
|
68.2
|
1.0
|
CG
|
B:GLU188
|
4.6
|
29.8
|
1.0
|
CB
|
B:ASP181
|
4.6
|
51.3
|
1.0
|
CB
|
B:SER221
|
4.7
|
19.3
|
1.0
|
O
|
B:HOH739
|
4.7
|
65.7
|
1.0
|
N
|
B:GLU224
|
4.7
|
33.2
|
1.0
|
CB
|
B:LYS225
|
4.9
|
7.2
|
1.0
|
|
Calcium binding site 5 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 5 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca736
b:33.4
occ:1.00
|
O
|
C:HOH739
|
2.2
|
48.5
|
1.0
|
O
|
C:ILE183
|
2.4
|
37.2
|
1.0
|
OE2
|
C:GLU188
|
2.4
|
24.1
|
1.0
|
OD1
|
C:ASP177
|
2.5
|
62.9
|
1.0
|
OD1
|
C:ASP181
|
2.5
|
43.0
|
1.0
|
OD1
|
C:ASP179
|
2.5
|
25.7
|
1.0
|
CG
|
C:ASP179
|
3.2
|
31.1
|
1.0
|
OD2
|
C:ASP179
|
3.2
|
40.4
|
1.0
|
C
|
C:ILE183
|
3.5
|
41.8
|
1.0
|
CD
|
C:GLU188
|
3.5
|
28.6
|
1.0
|
CG
|
C:ASP177
|
3.6
|
66.2
|
1.0
|
CG
|
C:ASP181
|
3.7
|
52.7
|
1.0
|
O
|
C:PRO223
|
4.1
|
14.3
|
1.0
|
CA
|
C:ASP177
|
4.1
|
39.8
|
1.0
|
C
|
C:PRO184
|
4.2
|
34.1
|
1.0
|
O
|
C:PRO184
|
4.2
|
33.3
|
1.0
|
OE1
|
C:GLU188
|
4.2
|
26.8
|
1.0
|
CA
|
C:CA737
|
4.2
|
18.8
|
1.0
|
N
|
C:ASP181
|
4.2
|
39.5
|
1.0
|
OD2
|
C:ASP181
|
4.2
|
71.3
|
1.0
|
OD1
|
C:ASP185
|
4.3
|
36.4
|
1.0
|
CA
|
C:PRO223
|
4.4
|
17.3
|
1.0
|
N
|
C:PRO184
|
4.4
|
32.5
|
1.0
|
CA
|
C:ILE183
|
4.4
|
42.4
|
1.0
|
CB
|
C:ASP177
|
4.4
|
49.5
|
1.0
|
C
|
C:ASP177
|
4.4
|
45.8
|
1.0
|
OD2
|
C:ASP177
|
4.4
|
64.5
|
1.0
|
CG
|
C:GLU188
|
4.4
|
22.1
|
1.0
|
CB
|
C:ILE183
|
4.5
|
31.2
|
1.0
|
CA
|
C:PRO184
|
4.5
|
31.1
|
1.0
|
N
|
C:ILE183
|
4.5
|
51.3
|
1.0
|
N
|
C:ASP185
|
4.5
|
26.6
|
1.0
|
N
|
C:ASN180
|
4.5
|
26.0
|
1.0
|
C
|
C:PRO223
|
4.6
|
20.1
|
1.0
|
N
|
C:ASP179
|
4.6
|
28.6
|
1.0
|
CB
|
C:ASP179
|
4.6
|
28.6
|
1.0
|
N
|
C:ARG178
|
4.6
|
17.3
|
1.0
|
CB
|
C:ASP181
|
4.8
|
42.7
|
1.0
|
CA
|
C:ASP181
|
4.8
|
43.9
|
1.0
|
CA
|
C:ASP185
|
4.9
|
25.0
|
1.0
|
C
|
C:ASP181
|
4.9
|
39.0
|
1.0
|
O
|
C:ASP177
|
4.9
|
60.8
|
1.0
|
CA
|
C:ASP179
|
5.0
|
31.5
|
1.0
|
|
Calcium binding site 6 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 6 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca737
b:18.8
occ:1.00
|
OD2
|
C:ASP179
|
2.4
|
40.4
|
1.0
|
OD2
|
C:ASP235
|
2.5
|
49.0
|
1.0
|
OD2
|
C:ASP181
|
2.5
|
71.3
|
1.0
|
OE1
|
C:GLU188
|
2.5
|
26.8
|
1.0
|
O
|
C:SER222
|
2.5
|
40.0
|
1.0
|
O
|
C:LYS225
|
2.5
|
40.9
|
1.0
|
OE2
|
C:GLU188
|
3.1
|
24.1
|
1.0
|
CD
|
C:GLU188
|
3.2
|
28.6
|
1.0
|
CG
|
C:ASP181
|
3.3
|
52.7
|
1.0
|
CG
|
C:ASP179
|
3.3
|
31.1
|
1.0
|
CG
|
C:ASP235
|
3.3
|
45.6
|
1.0
|
OD1
|
C:ASP181
|
3.5
|
43.0
|
1.0
|
C
|
C:LYS225
|
3.5
|
26.5
|
1.0
|
C
|
C:SER222
|
3.6
|
34.5
|
1.0
|
CB
|
C:ASP235
|
3.8
|
31.7
|
1.0
|
OD1
|
C:ASP179
|
3.8
|
25.7
|
1.0
|
CA
|
C:CA736
|
4.2
|
33.4
|
1.0
|
CB
|
C:ASP179
|
4.2
|
28.6
|
1.0
|
N
|
C:LYS225
|
4.2
|
40.4
|
1.0
|
OG
|
C:SER221
|
4.3
|
26.5
|
1.0
|
OD1
|
C:ASP235
|
4.3
|
52.2
|
1.0
|
OG1
|
C:THR228
|
4.4
|
35.6
|
1.0
|
N
|
C:TRP226
|
4.4
|
29.9
|
1.0
|
CA
|
C:LYS225
|
4.4
|
30.8
|
1.0
|
N
|
C:SER222
|
4.4
|
32.5
|
1.0
|
CA
|
C:TRP226
|
4.4
|
22.5
|
1.0
|
N
|
C:PRO223
|
4.5
|
29.0
|
1.0
|
O
|
C:TRP226
|
4.5
|
31.1
|
1.0
|
CA
|
C:PRO223
|
4.5
|
17.3
|
1.0
|
C
|
C:TRP226
|
4.5
|
25.1
|
1.0
|
CB
|
C:ASP181
|
4.5
|
42.7
|
1.0
|
CA
|
C:SER222
|
4.6
|
24.5
|
1.0
|
CB
|
C:SER221
|
4.6
|
21.1
|
1.0
|
CG
|
C:GLU188
|
4.6
|
22.1
|
1.0
|
C
|
C:PRO223
|
4.7
|
20.1
|
1.0
|
N
|
C:GLU224
|
4.9
|
41.1
|
1.0
|
CB
|
C:LYS225
|
5.0
|
7.5
|
1.0
|
|
Calcium binding site 7 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 7 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca736
b:44.2
occ:1.00
|
O
|
D:HOH739
|
1.9
|
70.4
|
1.0
|
O
|
D:ILE183
|
2.4
|
43.3
|
1.0
|
OE2
|
D:GLU188
|
2.4
|
26.9
|
1.0
|
OD1
|
D:ASP177
|
2.4
|
50.9
|
1.0
|
OD1
|
D:ASP181
|
2.4
|
30.7
|
1.0
|
OD1
|
D:ASP179
|
2.4
|
40.6
|
1.0
|
CG
|
D:ASP179
|
3.2
|
40.0
|
1.0
|
CG
|
D:ASP181
|
3.3
|
34.8
|
1.0
|
OD2
|
D:ASP179
|
3.3
|
38.4
|
1.0
|
OD2
|
D:ASP181
|
3.5
|
33.8
|
1.0
|
C
|
D:ILE183
|
3.6
|
46.0
|
1.0
|
CD
|
D:GLU188
|
3.6
|
34.2
|
1.0
|
CG
|
D:ASP177
|
3.6
|
54.0
|
1.0
|
OD1
|
D:ASP185
|
3.9
|
38.9
|
1.0
|
O
|
D:PRO223
|
4.1
|
23.3
|
1.0
|
CA
|
D:ASP177
|
4.2
|
31.2
|
1.0
|
CA
|
D:CA737
|
4.2
|
25.4
|
1.0
|
N
|
D:ASN180
|
4.3
|
10.7
|
1.0
|
N
|
D:ASP179
|
4.3
|
31.0
|
1.0
|
N
|
D:ILE183
|
4.3
|
44.2
|
1.0
|
C
|
D:ASP177
|
4.3
|
27.5
|
1.0
|
N
|
D:ASP181
|
4.4
|
25.8
|
1.0
|
CA
|
D:ILE183
|
4.4
|
36.3
|
1.0
|
OE1
|
D:GLU188
|
4.4
|
43.7
|
1.0
|
N
|
D:ARG178
|
4.4
|
13.5
|
1.0
|
CA
|
D:PRO223
|
4.4
|
21.8
|
1.0
|
C
|
D:PRO184
|
4.4
|
30.0
|
1.0
|
N
|
D:ASP185
|
4.4
|
34.2
|
1.0
|
OD2
|
D:ASP177
|
4.5
|
49.3
|
1.0
|
CB
|
D:ASP177
|
4.5
|
46.9
|
1.0
|
CB
|
D:ASP179
|
4.5
|
32.6
|
1.0
|
N
|
D:PRO184
|
4.5
|
27.9
|
1.0
|
CG
|
D:GLU188
|
4.6
|
28.1
|
1.0
|
C
|
D:PRO223
|
4.6
|
26.4
|
1.0
|
CB
|
D:ILE183
|
4.6
|
22.8
|
1.0
|
CB
|
D:ASP181
|
4.6
|
39.2
|
1.0
|
CA
|
D:PRO184
|
4.6
|
24.2
|
1.0
|
CA
|
D:ASP185
|
4.8
|
32.6
|
1.0
|
O
|
D:PRO184
|
4.8
|
19.8
|
1.0
|
CA
|
D:ASP179
|
4.8
|
32.2
|
1.0
|
C
|
D:ASP179
|
4.9
|
24.8
|
1.0
|
CA
|
D:ASP181
|
5.0
|
35.0
|
1.0
|
O
|
D:ASP177
|
5.0
|
39.9
|
1.0
|
|
Calcium binding site 8 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 8 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca737
b:25.4
occ:1.00
|
OD2
|
D:ASP179
|
2.4
|
38.4
|
1.0
|
OE1
|
D:GLU188
|
2.4
|
43.7
|
1.0
|
OD2
|
D:ASP181
|
2.4
|
33.8
|
1.0
|
O
|
D:LYS225
|
2.4
|
19.4
|
1.0
|
OD2
|
D:ASP235
|
2.4
|
40.4
|
1.0
|
O
|
D:SER222
|
2.4
|
44.2
|
1.0
|
CD
|
D:GLU188
|
3.1
|
34.2
|
1.0
|
OE2
|
D:GLU188
|
3.1
|
26.9
|
1.0
|
CG
|
D:ASP179
|
3.3
|
40.0
|
1.0
|
C
|
D:LYS225
|
3.5
|
20.9
|
1.0
|
CG
|
D:ASP235
|
3.5
|
49.2
|
1.0
|
C
|
D:SER222
|
3.6
|
34.3
|
1.0
|
CG
|
D:ASP181
|
3.6
|
34.8
|
1.0
|
OD1
|
D:ASP179
|
3.7
|
40.6
|
1.0
|
CB
|
D:ASP235
|
4.0
|
40.0
|
1.0
|
N
|
D:LYS225
|
4.2
|
32.7
|
1.0
|
CA
|
D:CA736
|
4.2
|
44.2
|
1.0
|
OD1
|
D:ASP181
|
4.2
|
30.7
|
1.0
|
CA
|
D:PRO223
|
4.3
|
21.8
|
1.0
|
N
|
D:PRO223
|
4.3
|
21.7
|
1.0
|
N
|
D:TRP226
|
4.3
|
27.9
|
1.0
|
O
|
D:TRP226
|
4.4
|
47.8
|
1.0
|
CA
|
D:LYS225
|
4.4
|
25.0
|
1.0
|
CB
|
D:ASP179
|
4.4
|
32.6
|
1.0
|
C
|
D:TRP226
|
4.4
|
30.2
|
1.0
|
OG1
|
D:THR228
|
4.4
|
22.1
|
1.0
|
CA
|
D:TRP226
|
4.4
|
19.5
|
1.0
|
OG
|
D:SER221
|
4.5
|
31.6
|
1.0
|
N
|
D:SER222
|
4.5
|
28.5
|
1.0
|
CA
|
D:SER222
|
4.6
|
32.1
|
1.0
|
C
|
D:PRO223
|
4.6
|
26.4
|
1.0
|
CB
|
D:ASP181
|
4.6
|
39.2
|
1.0
|
CG
|
D:GLU188
|
4.6
|
28.1
|
1.0
|
OD1
|
D:ASP235
|
4.6
|
63.4
|
1.0
|
CB
|
D:SER221
|
4.7
|
27.2
|
1.0
|
O
|
D:HOH739
|
4.7
|
70.4
|
1.0
|
N
|
D:GLU224
|
4.7
|
40.9
|
1.0
|
CB
|
D:LYS225
|
4.9
|
5.0
|
1.0
|
|
Calcium binding site 9 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 9 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca736
b:38.7
occ:1.00
|
O
|
E:HOH739
|
1.9
|
41.2
|
1.0
|
O
|
E:ILE183
|
2.4
|
41.2
|
1.0
|
OD1
|
E:ASP179
|
2.4
|
40.8
|
1.0
|
OD1
|
E:ASP177
|
2.4
|
57.4
|
1.0
|
OE2
|
E:GLU188
|
2.4
|
32.8
|
1.0
|
OD1
|
E:ASP181
|
2.4
|
36.4
|
1.0
|
CG
|
E:ASP179
|
3.1
|
48.1
|
1.0
|
OD2
|
E:ASP179
|
3.2
|
57.0
|
1.0
|
CD
|
E:GLU188
|
3.5
|
39.5
|
1.0
|
C
|
E:ILE183
|
3.5
|
48.0
|
1.0
|
CG
|
E:ASP177
|
3.6
|
56.3
|
1.0
|
CG
|
E:ASP181
|
3.6
|
47.5
|
1.0
|
O
|
E:PRO223
|
4.0
|
12.1
|
1.0
|
CA
|
E:ASP177
|
4.1
|
31.6
|
1.0
|
OD2
|
E:ASP181
|
4.2
|
67.1
|
1.0
|
OE1
|
E:GLU188
|
4.2
|
36.7
|
1.0
|
C
|
E:PRO184
|
4.2
|
26.9
|
1.0
|
N
|
E:ASP181
|
4.2
|
31.8
|
1.0
|
CA
|
E:CA737
|
4.2
|
24.3
|
1.0
|
O
|
E:PRO184
|
4.2
|
24.6
|
1.0
|
CA
|
E:PRO223
|
4.3
|
16.8
|
1.0
|
OD1
|
E:ASP185
|
4.3
|
35.5
|
1.0
|
C
|
E:ASP177
|
4.4
|
36.9
|
1.0
|
CB
|
E:ASP177
|
4.4
|
38.5
|
1.0
|
OD2
|
E:ASP177
|
4.4
|
54.4
|
1.0
|
CA
|
E:ILE183
|
4.4
|
50.2
|
1.0
|
N
|
E:PRO184
|
4.4
|
26.5
|
1.0
|
CG
|
E:GLU188
|
4.5
|
34.4
|
1.0
|
N
|
E:ASN180
|
4.5
|
17.7
|
1.0
|
CA
|
E:PRO184
|
4.5
|
24.6
|
1.0
|
CB
|
E:ILE183
|
4.5
|
38.4
|
1.0
|
C
|
E:PRO223
|
4.5
|
21.3
|
1.0
|
N
|
E:ILE183
|
4.5
|
57.4
|
1.0
|
N
|
E:ASP179
|
4.5
|
44.3
|
1.0
|
N
|
E:ASP185
|
4.5
|
26.1
|
1.0
|
CB
|
E:ASP179
|
4.5
|
45.3
|
1.0
|
N
|
E:ARG178
|
4.6
|
8.6
|
1.0
|
CB
|
E:ASP181
|
4.7
|
38.9
|
1.0
|
CA
|
E:ASP181
|
4.8
|
39.1
|
1.0
|
O
|
E:ASP177
|
4.9
|
50.3
|
1.0
|
CA
|
E:ASP185
|
4.9
|
23.2
|
1.0
|
C
|
E:ASP181
|
4.9
|
32.9
|
1.0
|
CA
|
E:ASP179
|
4.9
|
46.5
|
1.0
|
C
|
E:ASP179
|
5.0
|
40.8
|
1.0
|
|
Calcium binding site 10 out
of 16 in 3hvd
Go back to
Calcium Binding Sites List in 3hvd
Calcium binding site 10 out
of 16 in the The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca737
b:24.3
occ:1.00
|
OD2
|
E:ASP179
|
2.4
|
57.0
|
1.0
|
OD2
|
E:ASP235
|
2.4
|
44.1
|
1.0
|
O
|
E:LYS225
|
2.4
|
36.6
|
1.0
|
O
|
E:SER222
|
2.4
|
36.6
|
1.0
|
OE1
|
E:GLU188
|
2.4
|
36.7
|
1.0
|
OD2
|
E:ASP181
|
2.4
|
67.1
|
1.0
|
CD
|
E:GLU188
|
3.2
|
39.5
|
1.0
|
OE2
|
E:GLU188
|
3.2
|
32.8
|
1.0
|
CG
|
E:ASP179
|
3.2
|
48.1
|
1.0
|
CG
|
E:ASP181
|
3.3
|
47.5
|
1.0
|
CG
|
E:ASP235
|
3.3
|
40.9
|
1.0
|
C
|
E:LYS225
|
3.5
|
22.6
|
1.0
|
OD1
|
E:ASP181
|
3.5
|
36.4
|
1.0
|
C
|
E:SER222
|
3.6
|
31.9
|
1.0
|
CB
|
E:ASP235
|
3.8
|
24.6
|
1.0
|
OD1
|
E:ASP179
|
3.8
|
40.8
|
1.0
|
N
|
E:LYS225
|
4.2
|
38.6
|
1.0
|
CB
|
E:ASP179
|
4.2
|
45.3
|
1.0
|
CA
|
E:CA736
|
4.2
|
38.7
|
1.0
|
OD1
|
E:ASP235
|
4.3
|
50.2
|
1.0
|
OG
|
E:SER221
|
4.3
|
35.7
|
1.0
|
OG1
|
E:THR228
|
4.3
|
37.3
|
1.0
|
N
|
E:TRP226
|
4.3
|
24.4
|
1.0
|
CA
|
E:LYS225
|
4.4
|
29.1
|
1.0
|
N
|
E:SER222
|
4.4
|
28.5
|
1.0
|
N
|
E:PRO223
|
4.4
|
30.1
|
1.0
|
CA
|
E:TRP226
|
4.4
|
18.6
|
1.0
|
O
|
E:TRP226
|
4.5
|
21.3
|
1.0
|
CA
|
E:PRO223
|
4.5
|
16.8
|
1.0
|
C
|
E:TRP226
|
4.5
|
20.1
|
1.0
|
CB
|
E:ASP181
|
4.5
|
38.9
|
1.0
|
CA
|
E:SER222
|
4.5
|
23.2
|
1.0
|
CB
|
E:SER221
|
4.6
|
31.1
|
1.0
|
CG
|
E:GLU188
|
4.6
|
34.4
|
1.0
|
C
|
E:PRO223
|
4.7
|
21.3
|
1.0
|
N
|
E:GLU224
|
4.9
|
33.9
|
1.0
|
CB
|
E:LYS225
|
4.9
|
5.7
|
1.0
|
O
|
E:HOH739
|
5.0
|
41.2
|
1.0
|
|
Reference:
A.F.Kintzer,
K.L.Thoren,
H.J.Sterling,
K.C.Dong,
G.K.Feld,
I.I.Tang,
T.T.Zhang,
E.R.Williams,
J.M.Berger,
B.A.Krantz.
The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes. J.Mol.Biol. V. 392 614 2009.
ISSN: ISSN 0022-2836
PubMed: 19627991
DOI: 10.1016/J.JMB.2009.07.037
Page generated: Sat Jul 13 11:12:51 2024
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