Chlorine in PDB 4tpr: Structure of TAU5 Antibody Fab Fragment

The structure of Structure of TAU5 Antibody Fab Fragment, PDB code: 4tpr was solved by O.Cehlar, R.Skrabana, M.Novak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.93 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	129.374, 50.408, 75.169, 90.00, 115.35, 90.00
R / Rfree (%)	14.3 / 19.1

The structure of Structure of TAU5 Antibody Fab Fragment also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of TAU5 Antibody Fab Fragment (pdb code 4tpr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of TAU5 Antibody Fab Fragment, PDB code: 4tpr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of TAU5 Antibody 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 TAU5 Antibody Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl303 b:28.4 occ:0.50 O L:HOH437 3.4 23.5 1.0 NH2 L:ARG82 3.5 15.9 1.0 O L:LEU15 3.5 13.8 1.0 CA L:GLY16 3.8 12.4 1.0 NH1 L:ARG82 3.9 21.9 1.0 O L:HOH418 4.1 24.7 1.0 CZ L:ARG82 4.2 17.3 1.0 C L:LEU15 4.3 12.2 1.0 N L:GLY16 4.5 11.8 1.0 C L:GLY16 4.5 12.5 1.0 O L:GLY16 4.7 13.4 1.0

Chlorine binding site 2 out of 5 in the Structure of TAU5 Antibody 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 TAU5 Antibody Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl304 b:29.5 occ:1.00 NH1 L:ARG113 3.2 13.5 1.0 CB L:ASP175 4.1 13.6 1.0 CZ L:ARG113 4.1 14.5 1.0 NH2 L:ARG113 4.1 16.8 1.0 O L:HOH554 4.4 43.5 1.0 O L:ASP175 4.7 12.4 1.0 CA L:ASP175 4.9 13.1 1.0

Chlorine binding site 3 out of 5 in the Structure of TAU5 Antibody 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 TAU5 Antibody Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:19.1 occ:1.00 O H:HOH541 3.3 29.4 1.0 N L:PHE103 3.4 8.5 1.0 N H:TRP47 3.4 12.8 1.0 CA L:THR102 3.7 8.6 1.0 O L:HOH468 3.8 29.3 1.0 CA H:GLU46 3.8 14.1 1.0 CD2 L:PHE103 4.0 9.2 1.0 O H:LEU45 4.1 14.3 1.0 C L:THR102 4.1 8.6 1.0 O L:HOH540 4.1 31.2 1.0 C H:GLU46 4.1 13.2 1.0 O L:TRP101 4.2 10.0 0.4 CB L:THR102 4.2 9.0 1.0 O L:TRP101 4.2 10.0 0.6 CB H:TRP47 4.2 13.4 1.0 CB L:PHE103 4.2 9.1 1.0 CG2 L:THR102 4.2 9.0 1.0 CA L:PHE103 4.3 8.7 1.0 CG H:GLU46 4.4 20.3 1.0 O L:PHE103 4.4 9.1 1.0 CA H:TRP47 4.4 12.9 1.0 CB H:GLU46 4.6 16.8 1.0 CG L:PHE103 4.6 9.4 1.0 N H:GLU46 4.8 12.8 1.0 N L:THR102 4.8 8.9 1.0 C H:LEU45 4.8 13.9 1.0 C L:PHE103 4.9 8.9 1.0 O H:HOH469 4.9 40.8 1.0 C L:TRP101 4.9 9.0 0.4 C L:TRP101 4.9 9.0 0.6 O H:TRP47 5.0 18.0 1.0

Chlorine binding site 4 out of 5 in the Structure of TAU5 Antibody 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 TAU5 Antibody Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl302 b:16.3 occ:1.00 O H:HOH429 3.0 19.6 1.0 O H:HOH436 3.2 14.1 1.0 NZ H:LYS213 3.2 14.6 1.0 OG H:SER164 3.2 9.4 1.0 CB H:ASN204 3.6 9.3 1.0 CG H:ASN204 3.6 9.4 1.0 CB H:SER164 3.7 8.8 1.0 C55 H:33O304 3.9 14.7 1.0 CE H:LYS213 3.9 14.0 1.0 ND2 H:ASN204 3.9 9.6 1.0 CA H:SER164 3.9 9.8 1.0 O30 H:33O304 4.0 26.6 1.0 OD1 H:ASN204 4.1 10.1 1.0 OD1 H:ASP215 4.1 13.2 1.0 O28 H:33O304 4.3 15.4 1.0 C61 H:33O304 4.3 29.3 1.0 OG1 H:THR161 4.3 11.2 1.0 C56 H:33O304 4.6 13.9 1.0 N H:SER164 4.7 8.0 1.0 O29 H:33O304 4.8 18.6 1.0 C H:SER164 4.9 9.6 1.0 O27 H:33O304 4.9 13.8 1.0

Chlorine binding site 5 out of 5 in the Structure of TAU5 Antibody 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 TAU5 Antibody Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl303 b:38.8 occ:0.50 OE1 H:GLN179 2.6 18.0 0.5 O H:HOH542 3.0 44.1 1.0 NZ H:LYS151 3.1 24.3 1.0 N H:GLY152 3.2 13.8 1.0 OG1 H:THR184 3.2 18.4 1.0 CA H:GLY152 3.6 14.2 1.0 O H:TYR183 3.7 10.2 1.0 CD H:GLN179 3.8 23.7 0.5 CE H:LYS151 3.8 23.1 1.0 CG H:LYS151 4.0 19.8 1.0 O H:HOH539 4.1 43.7 1.0 C H:LYS151 4.2 12.6 1.0 C H:TYR183 4.2 11.0 1.0 CB H:LYS151 4.2 15.1 1.0 CB H:LEU182 4.3 18.8 1.0 CA H:LYS151 4.3 12.6 1.0 O H:LEU182 4.3 18.3 1.0 CG H:GLN179 4.4 24.8 0.5 CB H:THR184 4.5 15.6 1.0 CD H:LYS151 4.5 20.8 1.0 C H:LEU182 4.5 15.0 1.0 N H:THR184 4.6 10.2 1.0 O H:HOH535 4.6 31.2 1.0 CA H:THR184 4.8 11.9 1.0 NE2 H:GLN179 4.8 27.5 0.5 N H:TYR183 4.8 12.0 1.0 C H:GLY152 4.9 14.5 1.0

O.Cehlar, R.Skrabana, M.Novak. Structure of TAU5 Antibody Fab Fragment To Be Published.