Calcium in PDB 7o85: Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Calcium atom in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
(pdb code 7o85). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 14 binding sites of Calcium where determined in the
Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29, PDB code: 7o85:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 1 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca701
b:14.3
occ:1.00
|
OD2
|
A:ASP181
|
2.4
|
22.2
|
1.0
|
|
OD2
|
A:ASP179
|
2.4
|
24.0
|
1.0
|
|
OD2
|
A:ASP235
|
2.4
|
27.5
|
1.0
|
|
O
|
A:SER222
|
2.4
|
18.8
|
1.0
|
|
OE2
|
A:GLU188
|
2.4
|
22.9
|
1.0
|
|
O
|
A:LYS225
|
2.7
|
18.1
|
1.0
|
|
CD
|
A:GLU188
|
2.8
|
22.9
|
1.0
|
|
OE1
|
A:GLU188
|
2.8
|
22.9
|
1.0
|
|
CG
|
A:ASP181
|
3.5
|
22.2
|
1.0
|
|
CG
|
A:ASP235
|
3.6
|
27.5
|
1.0
|
|
C
|
A:SER222
|
3.6
|
18.8
|
1.0
|
|
CG
|
A:ASP179
|
3.6
|
24.0
|
1.0
|
|
CA
|
A:CA702
|
3.8
|
24.3
|
1.0
|
|
C
|
A:LYS225
|
3.9
|
18.1
|
1.0
|
|
CG
|
A:GLU188
|
4.0
|
22.9
|
1.0
|
|
CB
|
A:ASP181
|
4.0
|
22.2
|
1.0
|
|
N
|
A:SER222
|
4.1
|
18.8
|
1.0
|
|
CB
|
A:SER221
|
4.1
|
20.5
|
1.0
|
|
CB
|
A:ASP179
|
4.3
|
24.0
|
1.0
|
|
CB
|
A:ASP235
|
4.3
|
27.5
|
1.0
|
|
CA
|
A:SER222
|
4.4
|
18.8
|
1.0
|
|
OD1
|
A:ASP235
|
4.4
|
27.5
|
1.0
|
|
OD1
|
A:ASP181
|
4.5
|
22.2
|
1.0
|
|
O
|
A:TRP226
|
4.5
|
18.5
|
1.0
|
|
N
|
A:PRO223
|
4.5
|
18.5
|
1.0
|
|
CA
|
A:PRO223
|
4.5
|
18.5
|
1.0
|
|
OD1
|
A:ASP179
|
4.5
|
24.0
|
1.0
|
|
OG1
|
A:THR228
|
4.5
|
18.1
|
1.0
|
|
N
|
A:LYS225
|
4.6
|
18.1
|
1.0
|
|
C
|
A:TRP226
|
4.7
|
18.5
|
1.0
|
|
CB
|
A:GLU188
|
4.7
|
22.9
|
1.0
|
|
CA
|
A:LYS225
|
4.8
|
18.1
|
1.0
|
|
C
|
A:PRO223
|
4.8
|
18.5
|
1.0
|
|
N
|
A:TRP226
|
4.8
|
18.5
|
1.0
|
|
C
|
A:SER221
|
4.8
|
20.5
|
1.0
|
|
CA
|
A:TRP226
|
4.8
|
18.5
|
1.0
|
|
CB
|
A:SER222
|
4.9
|
18.8
|
1.0
|
|
Calcium binding site 2 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 2 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca702
b:24.3
occ:1.00
|
OD1
|
A:ASP181
|
2.3
|
22.2
|
1.0
|
|
OE1
|
A:GLU188
|
2.3
|
22.9
|
1.0
|
|
OD1
|
A:ASP179
|
2.3
|
24.0
|
1.0
|
|
OD2
|
A:ASP179
|
2.4
|
24.0
|
1.0
|
|
OD2
|
A:ASP181
|
2.4
|
22.2
|
1.0
|
|
OD1
|
A:ASP177
|
2.4
|
30.3
|
1.0
|
|
O
|
A:ILE183
|
2.4
|
23.2
|
1.0
|
|
OD1
|
A:ASP185
|
2.4
|
25.5
|
1.0
|
|
OE2
|
A:GLU188
|
2.4
|
22.9
|
1.0
|
|
CD
|
A:GLU188
|
2.5
|
22.9
|
1.0
|
|
CG
|
A:ASP181
|
2.7
|
22.2
|
1.0
|
|
CG
|
A:ASP179
|
2.7
|
24.0
|
1.0
|
|
C
|
A:ILE183
|
3.5
|
23.2
|
1.0
|
|
CG
|
A:ASP185
|
3.6
|
25.5
|
1.0
|
|
CG
|
A:ASP177
|
3.6
|
30.3
|
1.0
|
|
CG
|
A:GLU188
|
3.7
|
22.9
|
1.0
|
|
CA
|
A:CA701
|
3.8
|
14.3
|
1.0
|
|
N
|
A:ASP185
|
3.9
|
25.5
|
1.0
|
|
C
|
A:PRO184
|
4.0
|
27.3
|
1.0
|
|
CA
|
A:ASP185
|
4.0
|
25.5
|
1.0
|
|
CB
|
A:ASP181
|
4.1
|
22.2
|
1.0
|
|
O
|
A:PRO184
|
4.1
|
27.3
|
1.0
|
|
CB
|
A:ASP179
|
4.2
|
24.0
|
1.0
|
|
CA
|
A:ILE183
|
4.3
|
23.2
|
1.0
|
|
CB
|
A:ILE183
|
4.3
|
23.2
|
1.0
|
|
N
|
A:ILE183
|
4.3
|
23.2
|
1.0
|
|
O
|
A:PRO223
|
4.3
|
18.5
|
1.0
|
|
OD2
|
A:ASP177
|
4.4
|
30.3
|
1.0
|
|
CB
|
A:ASP185
|
4.4
|
25.5
|
1.0
|
|
CA
|
A:ASP177
|
4.5
|
30.3
|
1.0
|
|
N
|
A:PRO184
|
4.5
|
27.3
|
1.0
|
|
CB
|
A:GLU188
|
4.5
|
22.9
|
1.0
|
|
OD2
|
A:ASP185
|
4.5
|
25.5
|
1.0
|
|
N
|
A:ASP181
|
4.6
|
22.2
|
1.0
|
|
CA
|
A:PRO184
|
4.6
|
27.3
|
1.0
|
|
CA
|
A:PRO223
|
4.6
|
18.5
|
1.0
|
|
CB
|
A:ASP177
|
4.7
|
30.3
|
1.0
|
|
O
|
A:SER222
|
4.8
|
18.8
|
1.0
|
|
N
|
A:ASP179
|
4.8
|
24.0
|
1.0
|
|
C
|
A:PRO223
|
4.8
|
18.5
|
1.0
|
|
CA
|
A:ASP181
|
4.9
|
22.2
|
1.0
|
|
C
|
A:ASP177
|
5.0
|
30.3
|
1.0
|
|
CA
|
A:ASP179
|
5.0
|
24.0
|
1.0
|
|
CG2
|
A:ILE183
|
5.0
|
23.2
|
1.0
|
|
Calcium binding site 3 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 3 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca701
b:12.9
occ:1.00
|
OD2
|
D:ASP181
|
2.4
|
21.1
|
1.0
|
|
OD2
|
D:ASP179
|
2.4
|
23.4
|
1.0
|
|
OD2
|
D:ASP235
|
2.4
|
17.2
|
1.0
|
|
O
|
D:SER222
|
2.4
|
18.0
|
1.0
|
|
OE2
|
D:GLU188
|
2.4
|
21.2
|
1.0
|
|
O
|
D:LYS225
|
2.7
|
17.3
|
1.0
|
|
CD
|
D:GLU188
|
2.8
|
21.2
|
1.0
|
|
OE1
|
D:GLU188
|
2.8
|
21.2
|
1.0
|
|
CG
|
D:ASP181
|
3.5
|
21.1
|
1.0
|
|
CG
|
D:ASP235
|
3.6
|
17.2
|
1.0
|
|
C
|
D:SER222
|
3.6
|
18.0
|
1.0
|
|
CG
|
D:ASP179
|
3.6
|
23.4
|
1.0
|
|
CA
|
D:CA702
|
3.8
|
24.7
|
1.0
|
|
C
|
D:LYS225
|
3.9
|
17.3
|
1.0
|
|
CG
|
D:GLU188
|
4.0
|
21.2
|
1.0
|
|
CB
|
D:ASP181
|
4.0
|
21.1
|
1.0
|
|
N
|
D:SER222
|
4.1
|
18.0
|
1.0
|
|
CB
|
D:SER221
|
4.1
|
18.1
|
1.0
|
|
CB
|
D:ASP179
|
4.3
|
23.4
|
1.0
|
|
CB
|
D:ASP235
|
4.3
|
17.2
|
1.0
|
|
CA
|
D:SER222
|
4.4
|
18.0
|
1.0
|
|
OD1
|
D:ASP235
|
4.4
|
17.2
|
1.0
|
|
OD1
|
D:ASP181
|
4.5
|
21.1
|
1.0
|
|
O
|
D:TRP226
|
4.5
|
17.3
|
1.0
|
|
N
|
D:PRO223
|
4.5
|
17.8
|
1.0
|
|
CA
|
D:PRO223
|
4.5
|
17.8
|
1.0
|
|
OD1
|
D:ASP179
|
4.5
|
23.4
|
1.0
|
|
OG1
|
D:THR228
|
4.5
|
18.5
|
1.0
|
|
N
|
D:LYS225
|
4.6
|
17.3
|
1.0
|
|
C
|
D:TRP226
|
4.7
|
17.3
|
1.0
|
|
CB
|
D:GLU188
|
4.8
|
21.2
|
1.0
|
|
CA
|
D:LYS225
|
4.8
|
17.3
|
1.0
|
|
C
|
D:PRO223
|
4.8
|
17.8
|
1.0
|
|
N
|
D:TRP226
|
4.8
|
17.3
|
1.0
|
|
C
|
D:SER221
|
4.8
|
18.1
|
1.0
|
|
CA
|
D:TRP226
|
4.8
|
17.3
|
1.0
|
|
CB
|
D:SER222
|
4.9
|
18.0
|
1.0
|
|
Calcium binding site 4 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 4 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca702
b:24.7
occ:1.00
|
OD1
|
D:ASP181
|
2.3
|
21.1
|
1.0
|
|
OE1
|
D:GLU188
|
2.3
|
21.2
|
1.0
|
|
OD1
|
D:ASP179
|
2.3
|
23.4
|
1.0
|
|
OD2
|
D:ASP179
|
2.4
|
23.4
|
1.0
|
|
OD2
|
D:ASP181
|
2.4
|
21.1
|
1.0
|
|
OD1
|
D:ASP177
|
2.4
|
28.1
|
1.0
|
|
O
|
D:ILE183
|
2.4
|
21.6
|
1.0
|
|
OD1
|
D:ASP185
|
2.4
|
25.0
|
1.0
|
|
OE2
|
D:GLU188
|
2.4
|
21.2
|
1.0
|
|
CD
|
D:GLU188
|
2.5
|
21.2
|
1.0
|
|
CG
|
D:ASP181
|
2.7
|
21.1
|
1.0
|
|
CG
|
D:ASP179
|
2.7
|
23.4
|
1.0
|
|
C
|
D:ILE183
|
3.5
|
21.6
|
1.0
|
|
CG
|
D:ASP185
|
3.6
|
25.0
|
1.0
|
|
CG
|
D:ASP177
|
3.6
|
28.1
|
1.0
|
|
CG
|
D:GLU188
|
3.7
|
21.2
|
1.0
|
|
CA
|
D:CA701
|
3.8
|
12.9
|
1.0
|
|
N
|
D:ASP185
|
3.9
|
25.0
|
1.0
|
|
C
|
D:PRO184
|
4.0
|
26.1
|
1.0
|
|
CA
|
D:ASP185
|
4.0
|
25.0
|
1.0
|
|
CB
|
D:ASP181
|
4.1
|
21.1
|
1.0
|
|
O
|
D:PRO184
|
4.1
|
26.1
|
1.0
|
|
CB
|
D:ASP179
|
4.2
|
23.4
|
1.0
|
|
CA
|
D:ILE183
|
4.3
|
21.6
|
1.0
|
|
CB
|
D:ILE183
|
4.3
|
21.6
|
1.0
|
|
N
|
D:ILE183
|
4.3
|
21.6
|
1.0
|
|
O
|
D:PRO223
|
4.3
|
17.8
|
1.0
|
|
OD2
|
D:ASP177
|
4.4
|
28.1
|
1.0
|
|
CB
|
D:ASP185
|
4.4
|
25.0
|
1.0
|
|
CA
|
D:ASP177
|
4.5
|
28.1
|
1.0
|
|
N
|
D:PRO184
|
4.5
|
26.1
|
1.0
|
|
CB
|
D:GLU188
|
4.5
|
21.2
|
1.0
|
|
OD2
|
D:ASP185
|
4.5
|
25.0
|
1.0
|
|
N
|
D:ASP181
|
4.6
|
21.1
|
1.0
|
|
CA
|
D:PRO184
|
4.6
|
26.1
|
1.0
|
|
CA
|
D:PRO223
|
4.6
|
17.8
|
1.0
|
|
CB
|
D:ASP177
|
4.7
|
28.1
|
1.0
|
|
O
|
D:SER222
|
4.8
|
18.0
|
1.0
|
|
N
|
D:ASP179
|
4.8
|
23.4
|
1.0
|
|
C
|
D:PRO223
|
4.8
|
17.8
|
1.0
|
|
CA
|
D:ASP181
|
4.9
|
21.1
|
1.0
|
|
C
|
D:ASP177
|
5.0
|
28.1
|
1.0
|
|
CA
|
D:ASP179
|
5.0
|
23.4
|
1.0
|
|
CG2
|
D:ILE183
|
5.0
|
21.6
|
1.0
|
|
Calcium binding site 5 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 5 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca701
b:42.2
occ:1.00
|
OD2
|
G:ASP181
|
2.4
|
24.1
|
1.0
|
|
OD2
|
G:ASP179
|
2.4
|
26.2
|
1.0
|
|
OD2
|
G:ASP235
|
2.4
|
20.2
|
1.0
|
|
O
|
G:SER222
|
2.4
|
21.8
|
1.0
|
|
OE2
|
G:GLU188
|
2.4
|
24.6
|
1.0
|
|
O
|
G:LYS225
|
2.7
|
20.3
|
1.0
|
|
CD
|
G:GLU188
|
2.8
|
24.6
|
1.0
|
|
OE1
|
G:GLU188
|
2.8
|
24.6
|
1.0
|
|
CG
|
G:ASP181
|
3.5
|
24.1
|
1.0
|
|
CG
|
G:ASP235
|
3.6
|
20.2
|
1.0
|
|
C
|
G:SER222
|
3.6
|
21.8
|
1.0
|
|
CG
|
G:ASP179
|
3.6
|
26.2
|
1.0
|
|
CA
|
G:CA702
|
3.8
|
26.6
|
1.0
|
|
C
|
G:LYS225
|
3.9
|
20.3
|
1.0
|
|
CG
|
G:GLU188
|
4.0
|
24.6
|
1.0
|
|
CB
|
G:ASP181
|
4.0
|
24.1
|
1.0
|
|
N
|
G:SER222
|
4.1
|
21.8
|
1.0
|
|
CB
|
G:SER221
|
4.1
|
19.0
|
1.0
|
|
CB
|
G:ASP179
|
4.3
|
26.2
|
1.0
|
|
CB
|
G:ASP235
|
4.3
|
20.2
|
1.0
|
|
CA
|
G:SER222
|
4.4
|
21.8
|
1.0
|
|
OD1
|
G:ASP235
|
4.4
|
20.2
|
1.0
|
|
OD1
|
G:ASP181
|
4.5
|
24.1
|
1.0
|
|
O
|
G:TRP226
|
4.5
|
20.9
|
1.0
|
|
N
|
G:PRO223
|
4.5
|
19.1
|
1.0
|
|
CA
|
G:PRO223
|
4.5
|
19.1
|
1.0
|
|
OD1
|
G:ASP179
|
4.5
|
26.2
|
1.0
|
|
OG1
|
G:THR228
|
4.5
|
18.9
|
1.0
|
|
N
|
G:LYS225
|
4.6
|
20.3
|
1.0
|
|
C
|
G:TRP226
|
4.7
|
20.9
|
1.0
|
|
CB
|
G:GLU188
|
4.8
|
24.6
|
1.0
|
|
CA
|
G:LYS225
|
4.8
|
20.3
|
1.0
|
|
C
|
G:PRO223
|
4.8
|
19.1
|
1.0
|
|
N
|
G:TRP226
|
4.8
|
20.9
|
1.0
|
|
C
|
G:SER221
|
4.8
|
19.0
|
1.0
|
|
CA
|
G:TRP226
|
4.8
|
20.9
|
1.0
|
|
CB
|
G:SER222
|
4.9
|
21.8
|
1.0
|
|
Calcium binding site 6 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 6 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca702
b:26.6
occ:1.00
|
OD1
|
G:ASP181
|
2.3
|
24.1
|
1.0
|
|
OE1
|
G:GLU188
|
2.3
|
24.6
|
1.0
|
|
OD1
|
G:ASP179
|
2.3
|
26.2
|
1.0
|
|
OD2
|
G:ASP179
|
2.4
|
26.2
|
1.0
|
|
OD2
|
G:ASP181
|
2.4
|
24.1
|
1.0
|
|
OD1
|
G:ASP177
|
2.4
|
31.0
|
1.0
|
|
O
|
G:ILE183
|
2.4
|
23.5
|
1.0
|
|
OD1
|
G:ASP185
|
2.4
|
26.7
|
1.0
|
|
OE2
|
G:GLU188
|
2.4
|
24.6
|
1.0
|
|
CD
|
G:GLU188
|
2.5
|
24.6
|
1.0
|
|
CG
|
G:ASP181
|
2.7
|
24.1
|
1.0
|
|
CG
|
G:ASP179
|
2.7
|
26.2
|
1.0
|
|
C
|
G:ILE183
|
3.5
|
23.5
|
1.0
|
|
CG
|
G:ASP185
|
3.6
|
26.7
|
1.0
|
|
CG
|
G:ASP177
|
3.6
|
31.0
|
1.0
|
|
CG
|
G:GLU188
|
3.7
|
24.6
|
1.0
|
|
CA
|
G:CA701
|
3.8
|
42.2
|
1.0
|
|
N
|
G:ASP185
|
3.9
|
26.7
|
1.0
|
|
C
|
G:PRO184
|
4.0
|
27.1
|
1.0
|
|
CA
|
G:ASP185
|
4.0
|
26.7
|
1.0
|
|
CB
|
G:ASP181
|
4.1
|
24.1
|
1.0
|
|
O
|
G:PRO184
|
4.1
|
27.1
|
1.0
|
|
CB
|
G:ASP179
|
4.2
|
26.2
|
1.0
|
|
CA
|
G:ILE183
|
4.3
|
23.5
|
1.0
|
|
CB
|
G:ILE183
|
4.3
|
23.5
|
1.0
|
|
N
|
G:ILE183
|
4.3
|
23.5
|
1.0
|
|
O
|
G:PRO223
|
4.3
|
19.1
|
1.0
|
|
OD2
|
G:ASP177
|
4.4
|
31.0
|
1.0
|
|
CB
|
G:ASP185
|
4.4
|
26.7
|
1.0
|
|
CA
|
G:ASP177
|
4.5
|
31.0
|
1.0
|
|
N
|
G:PRO184
|
4.5
|
27.1
|
1.0
|
|
CB
|
G:GLU188
|
4.5
|
24.6
|
1.0
|
|
OD2
|
G:ASP185
|
4.5
|
26.7
|
1.0
|
|
N
|
G:ASP181
|
4.6
|
24.1
|
1.0
|
|
CA
|
G:PRO184
|
4.6
|
27.1
|
1.0
|
|
CA
|
G:PRO223
|
4.6
|
19.1
|
1.0
|
|
CB
|
G:ASP177
|
4.7
|
31.0
|
1.0
|
|
O
|
G:SER222
|
4.8
|
21.8
|
1.0
|
|
N
|
G:ASP179
|
4.8
|
26.2
|
1.0
|
|
C
|
G:PRO223
|
4.8
|
19.1
|
1.0
|
|
CA
|
G:ASP181
|
4.9
|
24.1
|
1.0
|
|
C
|
G:ASP177
|
5.0
|
31.0
|
1.0
|
|
CA
|
G:ASP179
|
5.0
|
26.2
|
1.0
|
|
CG2
|
G:ILE183
|
5.0
|
23.5
|
1.0
|
|
Calcium binding site 7 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 7 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca701
b:42.2
occ:1.00
|
OD2
|
J:ASP181
|
2.4
|
23.3
|
1.0
|
|
OD2
|
J:ASP179
|
2.4
|
24.5
|
1.0
|
|
OD2
|
J:ASP235
|
2.4
|
23.1
|
1.0
|
|
O
|
J:SER222
|
2.4
|
20.5
|
1.0
|
|
OE2
|
J:GLU188
|
2.4
|
23.7
|
1.0
|
|
O
|
J:LYS225
|
2.7
|
19.6
|
1.0
|
|
CD
|
J:GLU188
|
2.8
|
23.7
|
1.0
|
|
OE1
|
J:GLU188
|
2.8
|
23.7
|
1.0
|
|
CG
|
J:ASP181
|
3.4
|
23.3
|
1.0
|
|
CG
|
J:ASP235
|
3.6
|
23.1
|
1.0
|
|
C
|
J:SER222
|
3.6
|
20.5
|
1.0
|
|
CG
|
J:ASP179
|
3.6
|
24.5
|
1.0
|
|
CA
|
J:CA702
|
3.8
|
25.0
|
1.0
|
|
C
|
J:LYS225
|
3.9
|
19.6
|
1.0
|
|
CG
|
J:GLU188
|
4.0
|
23.7
|
1.0
|
|
CB
|
J:ASP181
|
4.0
|
23.3
|
1.0
|
|
N
|
J:SER222
|
4.1
|
20.5
|
1.0
|
|
CB
|
J:SER221
|
4.1
|
18.6
|
1.0
|
|
CB
|
J:ASP179
|
4.3
|
24.5
|
1.0
|
|
CB
|
J:ASP235
|
4.3
|
23.1
|
1.0
|
|
CA
|
J:SER222
|
4.4
|
20.5
|
1.0
|
|
OD1
|
J:ASP235
|
4.4
|
23.1
|
1.0
|
|
OD1
|
J:ASP181
|
4.5
|
23.3
|
1.0
|
|
O
|
J:TRP226
|
4.5
|
19.1
|
1.0
|
|
N
|
J:PRO223
|
4.5
|
17.4
|
1.0
|
|
CA
|
J:PRO223
|
4.5
|
17.4
|
1.0
|
|
OD1
|
J:ASP179
|
4.5
|
24.5
|
1.0
|
|
OG1
|
J:THR228
|
4.5
|
18.2
|
1.0
|
|
N
|
J:LYS225
|
4.6
|
19.6
|
1.0
|
|
C
|
J:TRP226
|
4.7
|
19.1
|
1.0
|
|
CB
|
J:GLU188
|
4.8
|
23.7
|
1.0
|
|
CA
|
J:LYS225
|
4.8
|
19.6
|
1.0
|
|
C
|
J:PRO223
|
4.8
|
17.4
|
1.0
|
|
N
|
J:TRP226
|
4.8
|
19.1
|
1.0
|
|
C
|
J:SER221
|
4.8
|
18.6
|
1.0
|
|
CA
|
J:TRP226
|
4.8
|
19.1
|
1.0
|
|
CB
|
J:SER222
|
4.9
|
20.5
|
1.0
|
|
Calcium binding site 8 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 8 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca702
b:25.0
occ:1.00
|
OD1
|
J:ASP181
|
2.3
|
23.3
|
1.0
|
|
OE1
|
J:GLU188
|
2.3
|
23.7
|
1.0
|
|
OD1
|
J:ASP179
|
2.3
|
24.5
|
1.0
|
|
OD2
|
J:ASP179
|
2.4
|
24.5
|
1.0
|
|
OD2
|
J:ASP181
|
2.4
|
23.3
|
1.0
|
|
OD1
|
J:ASP177
|
2.4
|
29.6
|
1.0
|
|
O
|
J:ILE183
|
2.4
|
23.1
|
1.0
|
|
OD1
|
J:ASP185
|
2.4
|
25.0
|
1.0
|
|
OE2
|
J:GLU188
|
2.4
|
23.7
|
1.0
|
|
CD
|
J:GLU188
|
2.5
|
23.7
|
1.0
|
|
CG
|
J:ASP181
|
2.7
|
23.3
|
1.0
|
|
CG
|
J:ASP179
|
2.7
|
24.5
|
1.0
|
|
C
|
J:ILE183
|
3.5
|
23.1
|
1.0
|
|
CG
|
J:ASP185
|
3.6
|
25.0
|
1.0
|
|
CG
|
J:ASP177
|
3.6
|
29.6
|
1.0
|
|
CG
|
J:GLU188
|
3.7
|
23.7
|
1.0
|
|
CA
|
J:CA701
|
3.8
|
42.2
|
1.0
|
|
N
|
J:ASP185
|
3.9
|
25.0
|
1.0
|
|
C
|
J:PRO184
|
4.0
|
26.2
|
1.0
|
|
CA
|
J:ASP185
|
4.0
|
25.0
|
1.0
|
|
CB
|
J:ASP181
|
4.1
|
23.3
|
1.0
|
|
O
|
J:PRO184
|
4.1
|
26.2
|
1.0
|
|
CB
|
J:ASP179
|
4.2
|
24.5
|
1.0
|
|
CA
|
J:ILE183
|
4.3
|
23.1
|
1.0
|
|
CB
|
J:ILE183
|
4.3
|
23.1
|
1.0
|
|
N
|
J:ILE183
|
4.3
|
23.1
|
1.0
|
|
O
|
J:PRO223
|
4.3
|
17.4
|
1.0
|
|
OD2
|
J:ASP177
|
4.4
|
29.6
|
1.0
|
|
CB
|
J:ASP185
|
4.4
|
25.0
|
1.0
|
|
CA
|
J:ASP177
|
4.5
|
29.6
|
1.0
|
|
N
|
J:PRO184
|
4.5
|
26.2
|
1.0
|
|
CB
|
J:GLU188
|
4.5
|
23.7
|
1.0
|
|
OD2
|
J:ASP185
|
4.5
|
25.0
|
1.0
|
|
N
|
J:ASP181
|
4.6
|
23.3
|
1.0
|
|
CA
|
J:PRO184
|
4.6
|
26.2
|
1.0
|
|
CA
|
J:PRO223
|
4.6
|
17.4
|
1.0
|
|
CB
|
J:ASP177
|
4.7
|
29.6
|
1.0
|
|
O
|
J:SER222
|
4.8
|
20.5
|
1.0
|
|
N
|
J:ASP179
|
4.8
|
24.5
|
1.0
|
|
C
|
J:PRO223
|
4.8
|
17.4
|
1.0
|
|
CA
|
J:ASP181
|
4.9
|
23.3
|
1.0
|
|
C
|
J:ASP177
|
5.0
|
29.6
|
1.0
|
|
CA
|
J:ASP179
|
5.0
|
24.5
|
1.0
|
|
CG2
|
J:ILE183
|
5.0
|
23.1
|
1.0
|
|
Calcium binding site 9 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 9 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Ca701
b:13.2
occ:1.00
|
OD2
|
M:ASP181
|
2.4
|
21.3
|
1.0
|
|
OD2
|
M:ASP179
|
2.4
|
23.0
|
1.0
|
|
OD2
|
M:ASP235
|
2.4
|
22.9
|
1.0
|
|
O
|
M:SER222
|
2.4
|
19.1
|
1.0
|
|
OE2
|
M:GLU188
|
2.4
|
21.7
|
1.0
|
|
O
|
M:LYS225
|
2.7
|
19.0
|
1.0
|
|
CD
|
M:GLU188
|
2.8
|
21.7
|
1.0
|
|
OE1
|
M:GLU188
|
2.8
|
21.7
|
1.0
|
|
CG
|
M:ASP181
|
3.5
|
21.3
|
1.0
|
|
CG
|
M:ASP235
|
3.6
|
22.9
|
1.0
|
|
C
|
M:SER222
|
3.6
|
19.1
|
1.0
|
|
CG
|
M:ASP179
|
3.6
|
23.0
|
1.0
|
|
CA
|
M:CA702
|
3.8
|
24.4
|
1.0
|
|
C
|
M:LYS225
|
3.9
|
19.0
|
1.0
|
|
CG
|
M:GLU188
|
4.0
|
21.7
|
1.0
|
|
CB
|
M:ASP181
|
4.0
|
21.3
|
1.0
|
|
N
|
M:SER222
|
4.1
|
19.1
|
1.0
|
|
CB
|
M:SER221
|
4.1
|
18.6
|
1.0
|
|
CB
|
M:ASP179
|
4.3
|
23.0
|
1.0
|
|
CB
|
M:ASP235
|
4.3
|
22.9
|
1.0
|
|
CA
|
M:SER222
|
4.4
|
19.1
|
1.0
|
|
OD1
|
M:ASP235
|
4.4
|
22.9
|
1.0
|
|
OD1
|
M:ASP181
|
4.5
|
21.3
|
1.0
|
|
O
|
M:TRP226
|
4.5
|
22.1
|
1.0
|
|
N
|
M:PRO223
|
4.5
|
18.0
|
1.0
|
|
CA
|
M:PRO223
|
4.5
|
18.0
|
1.0
|
|
OD1
|
M:ASP179
|
4.5
|
23.0
|
1.0
|
|
OG1
|
M:THR228
|
4.5
|
18.8
|
1.0
|
|
N
|
M:LYS225
|
4.6
|
19.0
|
1.0
|
|
C
|
M:TRP226
|
4.7
|
22.1
|
1.0
|
|
CB
|
M:GLU188
|
4.7
|
21.7
|
1.0
|
|
CA
|
M:LYS225
|
4.8
|
19.0
|
1.0
|
|
C
|
M:PRO223
|
4.8
|
18.0
|
1.0
|
|
N
|
M:TRP226
|
4.8
|
22.1
|
1.0
|
|
C
|
M:SER221
|
4.8
|
18.6
|
1.0
|
|
CA
|
M:TRP226
|
4.8
|
22.1
|
1.0
|
|
CB
|
M:SER222
|
4.9
|
19.1
|
1.0
|
|
Calcium binding site 10 out
of 14 in 7o85
Go back to
Calcium Binding Sites List in 7o85
Calcium binding site 10 out
of 14 in the Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Anthrax Toxin Prepore in Complex with the Neutralizing Fab CAB29 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Ca702
b:24.4
occ:1.00
|
OD1
|
M:ASP181
|
2.3
|
21.3
|
1.0
|
|
OE1
|
M:GLU188
|
2.3
|
21.7
|
1.0
|
|
OD1
|
M:ASP179
|
2.3
|
23.0
|
1.0
|
|
OD2
|
M:ASP179
|
2.4
|
23.0
|
1.0
|
|
OD2
|
M:ASP181
|
2.4
|
21.3
|
1.0
|
|
OD1
|
M:ASP177
|
2.4
|
29.8
|
1.0
|
|
O
|
M:ILE183
|
2.4
|
22.9
|
1.0
|
|
OD1
|
M:ASP185
|
2.4
|
24.3
|
1.0
|
|
OE2
|
M:GLU188
|
2.4
|
21.7
|
1.0
|
|
CD
|
M:GLU188
|
2.5
|
21.7
|
1.0
|
|
CG
|
M:ASP181
|
2.7
|
21.3
|
1.0
|
|
CG
|
M:ASP179
|
2.7
|
23.0
|
1.0
|
|
C
|
M:ILE183
|
3.5
|
22.9
|
1.0
|
|
CG
|
M:ASP185
|
3.6
|
24.3
|
1.0
|
|
CG
|
M:ASP177
|
3.7
|
29.8
|
1.0
|
|
CG
|
M:GLU188
|
3.7
|
21.7
|
1.0
|
|
CA
|
M:CA701
|
3.8
|
13.2
|
1.0
|
|
N
|
M:ASP185
|
3.9
|
24.3
|
1.0
|
|
C
|
M:PRO184
|
4.0
|
26.6
|
1.0
|
|
CA
|
M:ASP185
|
4.0
|
24.3
|
1.0
|
|
CB
|
M:ASP181
|
4.1
|
21.3
|
1.0
|
|
O
|
M:PRO184
|
4.1
|
26.6
|
1.0
|
|
CB
|
M:ASP179
|
4.2
|
23.0
|
1.0
|
|
CA
|
M:ILE183
|
4.3
|
22.9
|
1.0
|
|
CB
|
M:ILE183
|
4.3
|
22.9
|
1.0
|
|
N
|
M:ILE183
|
4.3
|
22.9
|
1.0
|
|
O
|
M:PRO223
|
4.3
|
18.0
|
1.0
|
|
OD2
|
M:ASP177
|
4.4
|
29.8
|
1.0
|
|
CB
|
M:ASP185
|
4.4
|
24.3
|
1.0
|
|
CA
|
M:ASP177
|
4.5
|
29.8
|
1.0
|
|
N
|
M:PRO184
|
4.5
|
26.6
|
1.0
|
|
CB
|
M:GLU188
|
4.5
|
21.7
|
1.0
|
|
OD2
|
M:ASP185
|
4.5
|
24.3
|
1.0
|
|
N
|
M:ASP181
|
4.6
|
21.3
|
1.0
|
|
CA
|
M:PRO184
|
4.6
|
26.6
|
1.0
|
|
CA
|
M:PRO223
|
4.6
|
18.0
|
1.0
|
|
CB
|
M:ASP177
|
4.7
|
29.8
|
1.0
|
|
O
|
M:SER222
|
4.8
|
19.1
|
1.0
|
|
N
|
M:ASP179
|
4.8
|
23.0
|
1.0
|
|
C
|
M:PRO223
|
4.8
|
18.0
|
1.0
|
|
CA
|
M:ASP181
|
4.9
|
21.3
|
1.0
|
|
C
|
M:ASP177
|
5.0
|
29.8
|
1.0
|
|
CA
|
M:ASP179
|
5.0
|
23.0
|
1.0
|
|
CG2
|
M:ILE183
|
5.0
|
22.9
|
1.0
|
|
Reference:
F.Hoelzgen,
R.Zalk,
R.Alcalay,
G.Garau,
A.Shahar,
O.Mazor,
G.A.Frank.
Neutralization of the Anthrax Toxin By Antibody-Mediated Stapling of Its Membrane Penetrating Loop Biorxiv 2021.
DOI: 10.1101/2021.04.18.440036
Page generated: Sat Jul 10 11:44:20 2021
|
