Chlorine in PDB 7lvb: Cholera Toxin B Subunit with Attached Siv Epitope
Protein crystallography data
The structure of Cholera Toxin B Subunit with Attached Siv Epitope, PDB code: 7lvb
was solved by
Y.Patskovsky,
T.J.Cardozo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.26 /
2.25
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
84.29,
112.428,
137.102,
90,
90,
90
|
R / Rfree (%)
|
15.7 /
19.8
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Chlorine atom in the Cholera Toxin B Subunit with Attached Siv Epitope
(pdb code 7lvb). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the
Cholera Toxin B Subunit with Attached Siv Epitope, PDB code: 7lvb:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 11 in 7lvb
Go back to
Chlorine Binding Sites List in 7lvb
Chlorine binding site 1 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl204
b:58.4
occ:1.00
|
O3
|
D:PGE202
|
3.4
|
54.1
|
1.0
|
N
|
D:HIS13
|
3.4
|
36.8
|
1.0
|
O
|
D:HOH337
|
3.5
|
41.3
|
1.0
|
CD2
|
D:TYR12
|
3.9
|
36.4
|
1.0
|
CA
|
D:TYR12
|
3.9
|
36.8
|
1.0
|
ND1
|
D:HIS13
|
3.9
|
60.8
|
1.0
|
C
|
D:TYR12
|
4.2
|
39.0
|
1.0
|
CB
|
D:HIS13
|
4.2
|
45.4
|
1.0
|
CB
|
D:TYR12
|
4.3
|
36.9
|
1.0
|
CA
|
D:HIS13
|
4.4
|
40.4
|
1.0
|
CG
|
D:HIS13
|
4.5
|
52.4
|
1.0
|
CG
|
D:TYR12
|
4.5
|
36.6
|
1.0
|
O
|
D:GLU11
|
4.6
|
38.9
|
1.0
|
CE2
|
D:TYR12
|
4.7
|
35.7
|
1.0
|
O
|
D:HIS13
|
4.7
|
36.0
|
1.0
|
C4
|
D:PGE202
|
4.7
|
52.2
|
1.0
|
CE1
|
D:HIS13
|
4.9
|
62.0
|
1.0
|
|
Chlorine binding site 2 out
of 11 in 7lvb
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Chlorine Binding Sites List in 7lvb
Chlorine binding site 2 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl203
b:54.9
occ:1.00
|
O
|
E:HOH312
|
3.3
|
40.7
|
1.0
|
N
|
E:HIS13
|
3.4
|
39.5
|
1.0
|
O3
|
E:PGE202
|
3.7
|
59.0
|
1.0
|
CA
|
E:TYR12
|
3.9
|
37.3
|
1.0
|
CD2
|
E:HIS13
|
4.0
|
57.6
|
1.0
|
CD2
|
E:TYR12
|
4.0
|
37.0
|
1.0
|
CB
|
E:HIS13
|
4.1
|
47.4
|
1.0
|
C
|
E:TYR12
|
4.1
|
38.0
|
1.0
|
CB
|
E:TYR12
|
4.2
|
36.9
|
1.0
|
CG
|
E:HIS13
|
4.2
|
54.7
|
1.0
|
CA
|
E:HIS13
|
4.3
|
43.4
|
1.0
|
CG
|
E:TYR12
|
4.5
|
37.9
|
1.0
|
O
|
E:HIS13
|
4.6
|
35.4
|
1.0
|
O
|
E:GLU11
|
4.7
|
38.1
|
1.0
|
CE2
|
E:TYR12
|
4.9
|
36.4
|
1.0
|
NE2
|
E:HIS13
|
5.0
|
61.9
|
1.0
|
O
|
E:HOH348
|
5.0
|
35.1
|
1.0
|
C
|
E:HIS13
|
5.0
|
38.9
|
1.0
|
|
Chlorine binding site 3 out
of 11 in 7lvb
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Chlorine Binding Sites List in 7lvb
Chlorine binding site 3 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl203
b:61.7
occ:1.00
|
O
|
G:HOH347
|
3.3
|
42.8
|
1.0
|
N
|
G:HIS13
|
3.4
|
44.0
|
1.0
|
O1
|
G:PGE202
|
3.5
|
60.4
|
1.0
|
O
|
G:HOH362
|
3.9
|
47.5
|
1.0
|
CA
|
G:TYR12
|
3.9
|
37.7
|
1.0
|
CD2
|
G:TYR12
|
3.9
|
36.1
|
1.0
|
CD2
|
G:HIS13
|
4.1
|
62.2
|
1.0
|
CB
|
G:HIS13
|
4.1
|
49.0
|
1.0
|
C
|
G:TYR12
|
4.2
|
39.9
|
1.0
|
CB
|
G:TYR12
|
4.2
|
37.6
|
1.0
|
CG
|
G:HIS13
|
4.3
|
58.8
|
1.0
|
CA
|
G:HIS13
|
4.4
|
44.0
|
1.0
|
CG
|
G:TYR12
|
4.5
|
35.4
|
1.0
|
O
|
G:GLU11
|
4.6
|
41.0
|
1.0
|
C1
|
G:PGE202
|
4.7
|
58.9
|
1.0
|
O
|
G:HIS13
|
4.8
|
38.1
|
1.0
|
CE2
|
G:TYR12
|
4.9
|
37.4
|
1.0
|
|
Chlorine binding site 4 out
of 11 in 7lvb
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Chlorine Binding Sites List in 7lvb
Chlorine binding site 4 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl204
b:43.3
occ:1.00
|
O
|
F:HOH309
|
3.1
|
30.7
|
1.0
|
N
|
G:THR92
|
3.3
|
31.8
|
1.0
|
O
|
G:HOH332
|
3.4
|
41.7
|
1.0
|
O
|
G:THR92
|
3.8
|
33.3
|
1.0
|
CA
|
G:LYS91
|
3.8
|
31.1
|
1.0
|
CD
|
G:LYS91
|
3.8
|
33.6
|
1.0
|
C
|
G:LYS91
|
4.1
|
31.0
|
1.0
|
CA
|
G:THR92
|
4.3
|
34.3
|
1.0
|
CB
|
G:LYS91
|
4.3
|
30.1
|
1.0
|
OG1
|
F:THR1
|
4.4
|
41.6
|
1.0
|
C
|
G:THR92
|
4.4
|
33.7
|
1.0
|
CB
|
G:THR92
|
4.5
|
41.1
|
1.0
|
O
|
G:ASN90
|
4.6
|
33.0
|
1.0
|
CG
|
G:LYS91
|
4.7
|
29.6
|
1.0
|
CE
|
G:LYS91
|
4.7
|
35.7
|
1.0
|
O
|
G:HOH335
|
4.8
|
47.3
|
1.0
|
OG1
|
G:THR92
|
5.0
|
41.6
|
1.0
|
N
|
G:LYS91
|
5.0
|
30.5
|
1.0
|
|
Chlorine binding site 5 out
of 11 in 7lvb
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Chlorine Binding Sites List in 7lvb
Chlorine binding site 5 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl202
b:62.7
occ:1.00
|
O
|
H:HOH339
|
3.3
|
48.7
|
1.0
|
O1
|
D:PGE203
|
3.4
|
64.5
|
1.0
|
N
|
H:HIS13
|
3.6
|
42.2
|
1.0
|
CA
|
H:TYR12
|
4.1
|
37.4
|
1.0
|
CD2
|
H:TYR12
|
4.1
|
35.2
|
1.0
|
CD2
|
H:HIS13
|
4.2
|
61.8
|
1.0
|
O
|
H:HOH357
|
4.3
|
43.6
|
1.0
|
CB
|
H:HIS13
|
4.3
|
51.6
|
1.0
|
CG
|
H:HIS13
|
4.3
|
57.8
|
1.0
|
C
|
H:TYR12
|
4.4
|
38.8
|
1.0
|
CB
|
H:TYR12
|
4.4
|
38.0
|
1.0
|
CA
|
H:HIS13
|
4.5
|
46.8
|
1.0
|
C1
|
D:PGE203
|
4.7
|
63.1
|
1.0
|
CG
|
H:TYR12
|
4.7
|
36.5
|
1.0
|
O
|
H:GLU11
|
4.8
|
39.9
|
1.0
|
O
|
H:HIS13
|
4.9
|
42.9
|
1.0
|
|
Chlorine binding site 6 out
of 11 in 7lvb
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Chlorine Binding Sites List in 7lvb
Chlorine binding site 6 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl204
b:55.0
occ:1.00
|
O
|
A:HOH341
|
3.3
|
34.1
|
1.0
|
N
|
A:HIS13
|
3.4
|
36.2
|
1.0
|
O3
|
A:PGE202
|
3.5
|
54.5
|
1.0
|
CA
|
A:TYR12
|
4.0
|
33.4
|
1.0
|
CD2
|
A:TYR12
|
4.0
|
33.8
|
1.0
|
CD2
|
A:HIS13
|
4.1
|
55.7
|
1.0
|
CB
|
A:HIS13
|
4.2
|
43.9
|
1.0
|
C
|
A:TYR12
|
4.2
|
34.3
|
1.0
|
CG
|
A:HIS13
|
4.3
|
50.9
|
1.0
|
CA
|
A:HIS13
|
4.3
|
37.7
|
1.0
|
CB
|
A:TYR12
|
4.4
|
31.7
|
1.0
|
CG
|
A:TYR12
|
4.6
|
33.9
|
1.0
|
O
|
A:HIS13
|
4.7
|
29.5
|
1.0
|
C4
|
A:PGE202
|
4.7
|
54.4
|
1.0
|
O
|
A:GLU11
|
4.8
|
35.6
|
1.0
|
CE2
|
A:TYR12
|
4.9
|
34.8
|
1.0
|
O
|
A:HOH349
|
4.9
|
36.1
|
1.0
|
|
Chlorine binding site 7 out
of 11 in 7lvb
Go back to
Chlorine Binding Sites List in 7lvb
Chlorine binding site 7 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl204
b:58.7
occ:1.00
|
N
|
B:HIS13
|
3.2
|
35.9
|
1.0
|
O
|
B:HOH332
|
3.3
|
37.4
|
1.0
|
O3
|
B:PGE202
|
3.5
|
66.3
|
1.0
|
CD2
|
B:HIS13
|
3.7
|
57.5
|
1.0
|
CA
|
B:TYR12
|
3.8
|
36.8
|
1.0
|
CB
|
B:HIS13
|
4.0
|
41.6
|
1.0
|
CD2
|
B:TYR12
|
4.0
|
32.0
|
1.0
|
C
|
B:TYR12
|
4.0
|
36.4
|
1.0
|
CG
|
B:HIS13
|
4.0
|
52.0
|
1.0
|
CA
|
B:HIS13
|
4.1
|
38.8
|
1.0
|
CB
|
B:TYR12
|
4.2
|
36.5
|
1.0
|
CG
|
B:TYR12
|
4.5
|
34.9
|
1.0
|
O
|
B:GLU11
|
4.5
|
38.8
|
1.0
|
O
|
B:HIS13
|
4.6
|
36.7
|
1.0
|
NE2
|
B:HIS13
|
4.8
|
57.5
|
1.0
|
CE2
|
B:TYR12
|
4.9
|
33.6
|
1.0
|
C
|
B:HIS13
|
4.9
|
38.6
|
1.0
|
C4
|
B:PGE202
|
4.9
|
64.2
|
1.0
|
N
|
B:TYR12
|
5.0
|
38.0
|
1.0
|
O
|
B:HOH350
|
5.0
|
42.7
|
1.0
|
|
Chlorine binding site 8 out
of 11 in 7lvb
Go back to
Chlorine Binding Sites List in 7lvb
Chlorine binding site 8 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl205
b:64.8
occ:1.00
|
N
|
B:THR19
|
3.0
|
35.0
|
1.0
|
O
|
B:THR19
|
3.5
|
41.1
|
1.0
|
CA
|
B:HIS18
|
3.7
|
38.1
|
1.0
|
C
|
B:HIS18
|
3.8
|
36.2
|
1.0
|
CA
|
B:THR19
|
3.9
|
38.1
|
1.0
|
CB
|
B:THR19
|
4.0
|
38.0
|
1.0
|
C
|
B:THR19
|
4.1
|
38.9
|
1.0
|
O
|
B:ILE17
|
4.4
|
39.2
|
1.0
|
CB
|
B:HIS18
|
4.4
|
39.2
|
1.0
|
OG1
|
B:THR19
|
4.4
|
42.5
|
1.0
|
ND1
|
B:HIS18
|
4.6
|
42.9
|
1.0
|
N
|
B:HIS18
|
4.8
|
38.3
|
1.0
|
CG
|
B:HIS18
|
4.8
|
39.1
|
1.0
|
C
|
B:ILE17
|
5.0
|
37.1
|
1.0
|
|
Chlorine binding site 9 out
of 11 in 7lvb
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Chlorine Binding Sites List in 7lvb
Chlorine binding site 9 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl204
b:62.2
occ:1.00
|
O
|
C:HOH349
|
3.2
|
37.6
|
1.0
|
N
|
C:HIS13
|
3.4
|
39.0
|
1.0
|
O3
|
C:PGE202
|
3.6
|
61.7
|
1.0
|
C4
|
C:PGE202
|
3.7
|
60.9
|
1.0
|
ND1
|
C:HIS13
|
3.8
|
65.3
|
1.0
|
CD2
|
C:TYR12
|
3.9
|
36.0
|
1.0
|
CA
|
C:TYR12
|
3.9
|
35.4
|
1.0
|
C
|
C:TYR12
|
4.2
|
36.0
|
1.0
|
CB
|
C:HIS13
|
4.2
|
48.9
|
1.0
|
CB
|
C:TYR12
|
4.3
|
34.2
|
1.0
|
CG
|
C:HIS13
|
4.4
|
59.2
|
1.0
|
CA
|
C:HIS13
|
4.4
|
42.4
|
1.0
|
CG
|
C:TYR12
|
4.5
|
34.5
|
1.0
|
O
|
C:GLU11
|
4.5
|
39.0
|
1.0
|
CE1
|
C:HIS13
|
4.7
|
64.1
|
1.0
|
CE2
|
C:TYR12
|
4.8
|
36.2
|
1.0
|
O
|
C:HIS13
|
4.8
|
38.7
|
1.0
|
O
|
C:HOH351
|
4.9
|
39.6
|
1.0
|
|
Chlorine binding site 10 out
of 11 in 7lvb
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Chlorine Binding Sites List in 7lvb
Chlorine binding site 10 out
of 11 in the Cholera Toxin B Subunit with Attached Siv Epitope
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Cholera Toxin B Subunit with Attached Siv Epitope within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Cl204
b:58.2
occ:1.00
|
O
|
I:HOH346
|
3.2
|
38.1
|
1.0
|
N
|
I:HIS13
|
3.3
|
38.3
|
1.0
|
O1
|
I:PGE202
|
3.5
|
62.3
|
1.0
|
CA
|
I:TYR12
|
3.9
|
38.6
|
1.0
|
CD2
|
I:HIS13
|
3.9
|
62.8
|
1.0
|
CB
|
I:HIS13
|
4.0
|
48.5
|
1.0
|
CD2
|
I:TYR12
|
4.1
|
37.2
|
1.0
|
C
|
I:TYR12
|
4.1
|
36.0
|
1.0
|
CG
|
I:HIS13
|
4.1
|
56.5
|
1.0
|
CA
|
I:HIS13
|
4.2
|
43.4
|
1.0
|
CB
|
I:TYR12
|
4.2
|
39.1
|
1.0
|
CG
|
I:TYR12
|
4.5
|
37.0
|
1.0
|
O
|
I:GLU11
|
4.6
|
38.0
|
1.0
|
O
|
I:HIS13
|
4.7
|
40.4
|
1.0
|
NE2
|
I:HIS13
|
4.8
|
64.7
|
1.0
|
C1
|
I:PGE202
|
4.9
|
62.4
|
1.0
|
C
|
I:HIS13
|
4.9
|
41.8
|
1.0
|
CE2
|
I:TYR12
|
5.0
|
36.0
|
1.0
|
|
Reference:
Y.Patskovsky,
T.J.Cardozo.
Cholera Toxin B Subunit with Attached Siv Epitope To Be Published.
Page generated: Tue Jul 30 00:13:16 2024
|