Chlorine in PDB 8ftg: Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody

The structure of Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody, PDB code: 8ftg was solved by J.R.Horn, C.A.Smith, G.J.Sonneson, R.Walter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.03 / 1.13
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.136, 66.28, 68.999, 111.62, 95.2, 90.25
R / Rfree (%)	14.3 / 16.4

The binding sites of Chlorine atom in the Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody (pdb code 8ftg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody, PDB code: 8ftg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:16.9 occ:1.00 H E:GLY31 2.6 18.4 1.0 HA E:ARG29 2.9 19.8 1.0 O E:HOH425 3.1 33.7 1.0 HB3 E:ARG29 3.2 21.7 1.0 HA3 E:GLY31 3.2 17.9 1.0 N E:GLY31 3.2 15.3 1.0 HG23 E:THR32 3.2 21.9 1.0 C E:ARG29 3.5 15.3 1.0 CA E:ARG29 3.5 16.5 1.0 H E:THR32 3.5 16.9 1.0 CA E:GLY31 3.6 14.9 1.0 CB E:ARG29 3.8 18.1 1.0 N E:THR30 3.8 15.6 1.0 O E:ARG29 3.8 16.1 1.0 H E:THR30 3.9 18.7 1.0 N E:THR32 3.9 14.1 1.0 HG2 E:ARG29 4.0 28.1 1.0 C E:GLY31 4.0 15.2 1.0 CG2 E:THR32 4.2 18.3 1.0 C E:THR30 4.3 14.5 1.0 CG E:ARG29 4.4 23.4 1.0 HG22 E:THR32 4.5 21.9 1.0 HA2 E:GLY31 4.5 17.9 1.0 HB2 E:ARG29 4.6 21.7 1.0 HG21 E:THR32 4.6 21.9 1.0 HD3 E:ARG29 4.6 40.0 1.0 CA E:THR30 4.7 16.2 1.0 N E:ARG29 4.8 16.3 1.0 O E:GLY28 4.9 18.3 1.0 HG1 E:THR30 4.9 23.0 1.0 O E:GLY31 5.0 15.7 1.0

Chlorine binding site 2 out of 3 in the Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl202 b:15.3 occ:1.00 H F:ASP64 2.4 15.5 1.0 HE3 F:MET63 2.8 17.7 1.0 HD2 E:ARG47 2.9 17.7 1.0 HB2 F:ASP64 2.9 17.7 1.0 O F:HOH367 3.2 15.9 1.0 N F:ASP64 3.2 12.9 1.0 HB3 F:MET63 3.5 15.9 1.0 HA F:MET63 3.5 14.7 1.0 CB F:ASP64 3.6 14.8 1.0 CE F:MET63 3.6 14.7 1.0 HB3 E:ARG47 3.7 16.8 1.0 CG F:ASP64 3.7 16.4 1.0 HE1 F:MET63 3.7 17.7 1.0 CD E:ARG47 3.8 14.7 1.0 OD2 F:ASP64 3.9 18.5 1.0 CA F:ASP64 4.0 13.3 1.0 CA F:MET63 4.1 12.3 1.0 C F:MET63 4.1 13.2 1.0 CB F:MET63 4.2 13.2 1.0 SD F:MET63 4.2 13.5 1.0 HB2 E:ARG47 4.3 16.8 1.0 H F:SER65 4.3 16.2 1.0 OD1 F:ASP64 4.3 15.9 1.0 NE E:ARG47 4.3 14.9 1.0 CB E:ARG47 4.3 14.0 1.0 HE2 F:MET63 4.4 17.7 1.0 HD3 E:ARG47 4.4 17.7 1.0 HB3 F:ASP64 4.4 17.7 1.0 CG E:ARG47 4.6 14.3 1.0 HE E:ARG47 4.6 17.9 1.0 HH11 E:ARG47 4.6 19.5 1.0 HA F:ASP64 4.7 15.9 1.0 CG F:MET63 4.8 12.9 1.0 HG2 E:ARG47 4.8 17.1 1.0 CZ E:ARG47 4.8 15.6 1.0 O E:HOH325 4.9 16.8 1.0 O E:HOH327 4.9 16.3 1.0 N F:SER65 4.9 13.5 1.0 NH1 E:ARG47 4.9 16.2 1.0 HB2 F:MET63 5.0 15.9 1.0 C F:ASP64 5.0 14.0 1.0

Chlorine binding site 3 out of 3 in the Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Biophysical and Structural Characterization of An Anti-Caffeine Vhh Antibody within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl201 b:17.4 occ:1.00 H H:GLY31 2.5 17.4 1.0 HA H:ARG29 2.8 19.1 1.0 O H:HOH380 2.9 24.6 1.0 HB3 H:ARG29 3.2 20.5 1.0 N H:GLY31 3.2 14.5 1.0 HA3 H:GLY31 3.2 18.0 1.0 HG23 H:THR32 3.2 19.3 1.0 C H:ARG29 3.4 14.3 1.0 H H:THR32 3.4 17.2 1.0 CA H:ARG29 3.4 15.9 1.0 CA H:GLY31 3.6 15.0 1.0 O H:ARG29 3.7 14.9 1.0 CB H:ARG29 3.7 17.1 1.0 N H:THR30 3.7 14.8 1.0 HG2 H:ARG29 3.8 25.3 1.0 H H:THR30 3.8 17.7 1.0 N H:THR32 3.9 14.3 1.0 C H:GLY31 4.0 15.0 1.0 HE H:ARG29 4.1 37.3 1.0 CG2 H:THR32 4.2 16.1 1.0 C H:THR30 4.3 14.9 1.0 CG H:ARG29 4.3 21.0 1.0 HG22 H:THR32 4.4 19.3 1.0 HA2 H:GLY31 4.5 18.0 1.0 HB2 H:ARG29 4.6 20.5 1.0 CA H:THR30 4.6 14.9 1.0 HG1 H:THR32 4.6 18.3 1.0 HG21 H:THR32 4.7 19.3 1.0 N H:ARG29 4.8 14.6 1.0 O H:GLY28 4.8 17.8 1.0 NE H:ARG29 4.9 31.0 1.0 CA H:THR32 5.0 14.5 1.0 O H:GLY31 5.0 15.8 1.0

C.A.Smith, G.J.Sonneson, R.J.Hoey, J.M.Hinerman, K.Sheehy, R.Walter, A.B.Herr, J.R.Horn. Molecular Recognition Requires Dimerization of A Vhh Antibody. Mabs V. 15 15363 2023.
ISSN: ESSN 1942-0870
PubMed: 37243579
DOI: 10.1080/19420862.2023.2215363