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Chlorine in PDB 4otx: Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment

Protein crystallography data

The structure of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment, PDB code: 4otx was solved by Z.Lu, M.J.Rynkiewicz, C.-Y.Yang, G.Madico, H.M.Perkins, M.I.Roche, B.A.Seaton, J.Sharon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.86 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.011, 122.322, 124.764, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22.8

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine atom in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment (pdb code 4otx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment, PDB code: 4otx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in 4otx

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Chlorine binding site 1 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl301

b:17.9
occ:1.00
 O L:HOH436 2.9 28.8 1.0
O H:HOH423 3.1 28.1 1.0
N L:PHE98 3.3 16.4 1.0
N H:TRP47 3.3 12.6 1.0
CA L:THR97 3.8 20.8 1.0
CD2 L:PHE98 3.9 17.3 1.0
CA H:GLU46 3.9 14.8 1.0
CB H:TRP47 3.9 17.0 1.0
C L:THR97 4.1 20.4 1.0
CB L:PHE98 4.1 13.6 1.0
O H:LEU45 4.1 15.6 1.0
C H:GLU46 4.1 13.9 1.0
CA L:PHE98 4.2 16.5 1.0
CA H:TRP47 4.2 16.0 1.0
CB L:THR97 4.3 17.5 1.0
CG2 L:THR97 4.3 18.4 1.0
CG H:GLU46 4.4 22.5 1.0
O L:PHE98 4.4 18.3 1.0
CG L:PHE98 4.5 18.1 1.0
CB H:GLU46 4.7 18.4 1.0
O H:TRP47 4.7 23.1 1.0
O L:LEU96 4.8 25.6 1.0
C L:PHE98 4.8 14.0 1.0
N H:GLU46 4.9 17.3 1.0
C H:LEU45 4.9 19.5 1.0
CE2 L:PHE98 4.9 18.2 1.0
N L:THR97 5.0 18.8 1.0

Chlorine binding site 2 out of 18 in 4otx

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Chlorine binding site 2 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl302

b:33.9
occ:1.00
 O L:HOH545 3.2 26.8 1.0
N L:ILE117 3.4 22.9 1.0
CD L:LYS207 3.6 32.3 1.0
CA L:SER116 3.7 24.1 1.0
O L:ILE117 3.9 26.8 1.0
CG2 L:ILE117 3.9 20.1 1.0
C L:SER116 4.1 28.0 1.0
CG L:LYS207 4.1 33.6 1.0
CE L:LYS207 4.1 33.8 1.0
CB L:SER116 4.2 21.3 1.0
NZ L:LYS207 4.3 41.8 1.0
CB L:LYS207 4.3 22.2 1.0
CA L:ILE117 4.4 22.6 1.0
CG2 H:VAL127 4.5 39.3 1.0
O H:HOH495 4.5 27.0 1.0
O L:VAL115 4.5 26.0 1.0
C L:ILE117 4.6 23.9 1.0
CB L:ILE117 4.7 24.3 1.0
CG1 H:VAL127 4.8 27.1 1.0
N L:SER116 4.9 25.3 1.0

Chlorine binding site 3 out of 18 in 4otx

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Chlorine binding site 3 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl303

b:41.5
occ:1.00
 N L:ALA109 3.2 29.3 1.0
O L:HOH502 3.5 34.7 1.0
CB L:ARG108 3.6 23.2 1.0
CB L:ALA109 3.7 36.9 1.0
CZ L:ARG108 4.0 31.9 1.0
CA L:ARG108 4.0 26.9 1.0
NH2 L:ARG108 4.1 29.6 1.0
CA L:ALA109 4.1 37.5 1.0
C L:ARG108 4.1 28.3 1.0
NE L:ARG108 4.2 27.9 1.0
NH1 L:ARG108 4.4 23.1 1.0
CG L:ARG108 4.8 25.7 1.0
CD L:ARG108 4.8 26.2 1.0
O L:ALA109 4.9 31.1 1.0
O L:HOH411 5.0 23.2 1.0
C L:ALA109 5.0 29.1 1.0

Chlorine binding site 4 out of 18 in 4otx

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Chlorine binding site 4 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl304

b:52.8
occ:1.00
 NH1 L:ARG61 3.4 35.9 1.0
CB L:PRO59 3.5 29.6 1.0
N L:ARG61 3.6 26.8 1.0
CG L:ARG61 3.7 25.6 1.0
CB L:ARG61 3.7 22.4 1.0
N L:ASP60 3.8 30.7 1.0
CD L:ARG61 3.9 31.0 1.0
CA L:PRO59 4.1 27.9 1.0
C L:PRO59 4.2 31.6 1.0
CA L:ARG61 4.3 24.4 1.0
CZ L:ARG61 4.4 27.6 1.0
C L:ASP60 4.5 26.1 1.0
CA L:ASP60 4.6 25.0 1.0
NE L:ARG61 4.6 22.8 1.0
CG L:PRO59 4.7 35.8 1.0
CB L:ASP60 4.9 52.8 1.0
NE2 L:GLN79 4.9 30.9 1.0

Chlorine binding site 5 out of 18 in 4otx

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Chlorine binding site 5 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl301

b:24.6
occ:1.00
 OG1 H:THR30 3.1 24.5 1.0
CG2 H:THR30 4.0 20.1 1.0
CB H:THR30 4.1 19.7 1.0
CG2 H:THR28 4.6 22.2 1.0

Chlorine binding site 6 out of 18 in 4otx

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Chlorine binding site 6 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl302

b:44.5
occ:1.00
 O H:HOH515 3.2 36.3 1.0
N H:ARG13 3.3 23.5 1.0
CA H:ALA12 3.5 22.6 1.0
CB H:ALA16 3.7 20.7 1.0
CB H:ALA12 3.8 22.3 1.0
C H:ALA12 3.9 24.2 1.0
CG H:ARG13 4.2 37.1 1.0
CB H:ARG13 4.2 28.3 1.0
CA H:ARG13 4.3 22.7 1.0
O H:LEU11 4.4 25.6 1.0
N H:ALA12 4.8 21.4 1.0
O H:ARG13 4.8 18.3 1.0

Chlorine binding site 7 out of 18 in 4otx

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Chlorine binding site 7 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl302

b:20.6
occ:1.00
 N M:PHE98 3.2 17.5 1.0
N I:TRP47 3.3 14.1 1.0
O I:HOH442 3.4 27.6 1.0
CA M:THR97 3.7 18.9 1.0
CB I:TRP47 3.9 19.1 1.0
C M:THR97 4.0 21.7 1.0
CA I:GLU46 4.1 21.1 1.0
CB M:PHE98 4.1 13.3 1.0
CD2 M:PHE98 4.1 13.7 1.0
CA M:PHE98 4.2 16.9 1.0
CA I:TRP47 4.2 20.1 1.0
CB M:THR97 4.2 23.1 1.0
C I:GLU46 4.2 19.5 1.0
O I:LEU45 4.3 16.0 1.0
CG2 M:THR97 4.3 20.3 1.0
O M:PHE98 4.3 18.3 1.0
CG M:PHE98 4.6 16.7 1.0
O I:TRP47 4.7 26.0 1.0
O M:LEU96 4.7 27.2 1.0
C M:PHE98 4.7 17.3 1.0
CB I:GLU46 4.8 25.8 1.0
N M:THR97 4.8 17.4 1.0
C I:TRP47 5.0 16.0 1.0

Chlorine binding site 8 out of 18 in 4otx

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Chlorine binding site 8 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl303

b:26.0
occ:1.00
 O I:HOH432 2.9 20.7 1.0
O I:HOH462 3.1 29.5 1.0
N M:SER122 3.3 20.4 1.0
OG M:SER122 3.4 39.3 1.0
O M:HOH457 3.4 32.0 1.0
NH1 I:ARG213 3.5 19.6 1.0
CA M:SER121 3.8 17.5 1.0
O I:HOH530 3.9 31.2 1.0
C M:SER121 4.0 17.9 1.0
CB M:SER122 4.1 16.2 1.0
CZ I:ARG213 4.1 20.5 1.0
CG I:ARG213 4.2 21.4 1.0
CB M:SER121 4.2 18.6 1.0
CA M:SER122 4.3 23.6 1.0
O I:HOH560 4.5 25.9 1.0
O M:PRO120 4.6 18.9 1.0
NE I:ARG213 4.7 16.6 1.0
NH2 I:ARG213 4.7 17.6 1.0
CD I:ARG213 4.8 34.7 1.0
OE1 M:GLU123 4.9 39.8 1.0
O M:HOH482 4.9 22.0 1.0
N M:SER121 5.0 13.4 1.0

Chlorine binding site 9 out of 18 in 4otx

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Chlorine binding site 9 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl304

b:27.1
occ:1.00
 O M:HOH436 3.2 19.0 1.0
N M:ILE117 3.4 19.2 1.0
CE M:LYS207 3.6 23.9 1.0
CD M:LYS207 3.6 26.9 1.0
CA M:SER116 3.8 29.0 1.0
O M:ILE117 4.0 21.9 1.0
CG2 M:ILE117 4.0 20.8 1.0
CG M:LYS207 4.1 20.6 1.0
C M:SER116 4.1 21.0 1.0
O I:HOH412 4.1 20.1 1.0
CB M:SER116 4.3 22.2 1.0
CA M:ILE117 4.4 18.2 1.0
CG2 I:VAL127 4.4 34.7 1.0
CB M:LYS207 4.5 23.2 1.0
O M:VAL115 4.5 21.6 1.0
C M:ILE117 4.7 22.7 1.0
CB M:ILE117 4.7 22.0 1.0
CG1 I:VAL127 4.8 26.0 1.0
NZ M:LYS207 4.9 39.5 1.0
N M:SER116 4.9 20.7 1.0

Chlorine binding site 10 out of 18 in 4otx

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Chlorine binding site 10 out of 18 in the Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of the Anti-Francisella Tularensis O-Antigen Antibody N203 Fab Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl305

b:33.8
occ:1.00
 N M:ARG54 3.2 22.9 1.0
CB M:ARG54 3.6 30.9 1.0
O M:SER52 3.8 30.5 1.0
CA M:ARG54 4.0 26.0 1.0
CA M:THR53 4.1 18.4 1.0
C M:THR53 4.1 23.9 1.0
CZ M:ARG54 4.3 47.9 1.0
NH2 M:ARG54 4.3 49.1 1.0
O M:HOH456 4.4 21.6 1.0
O M:ARG54 4.4 25.7 1.0
NH1 M:ARG54 4.5 44.1 1.0
CG2 M:THR53 4.7 23.5 1.0
C M:ARG54 4.7 24.8 1.0
NE M:ARG54 4.8 42.6 1.0
C M:SER52 4.8 19.7 1.0
CG M:ARG54 5.0 34.5 1.0
N M:THR53 5.0 20.7 1.0
CB M:THR53 5.0 20.7 1.0

Reference:

Z.Lu, M.J.Rynkiewicz, C.Y.Yang, G.Madico, H.M.Perkins, M.I.Roche, B.A.Seaton, J.Sharon. Functional and Structural Characterization of Francisella Tularensis O-Antigen Antibodies at the Low End of Antigen Reactivity. Monoclon Antib Immunodiagn V. 33 235 2014IMMUNOTHER.
PubMed: 25171003
DOI: 10.1089/MAB.2014.0022
Page generated: Thu Jul 25 23:36:56 2024

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