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

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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 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 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 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 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 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

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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

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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 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 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 Apr 4 20:46:05 2023

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