Chlorine in PDB 7tjc: Vhh Chl-B2 in Complex with Chloramphenicol

The structure of Vhh Chl-B2 in Complex with Chloramphenicol, PDB code: 7tjc was solved by S.A.Nordeen, T.U.Schwartz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.15 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.219, 66.553, 93.165, 90, 90, 90
R / Rfree (%)	20 / 23.5

The binding sites of Chlorine atom in the Vhh Chl-B2 in Complex with Chloramphenicol (pdb code 7tjc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Vhh Chl-B2 in Complex with Chloramphenicol, PDB code: 7tjc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Vhh Chl-B2 in Complex with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Vhh Chl-B2 in Complex with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:34.8 occ:1.00 CL1 A:CLM201 0.0 34.8 1.0 C1 A:CLM201 1.8 30.0 1.0 C2 A:CLM201 2.6 27.7 1.0 CL2 A:CLM201 2.8 27.1 1.0 O2 A:CLM201 3.1 26.7 1.0 C A:ALA33 3.3 11.5 1.0 O A:ALA33 3.3 11.9 1.0 N A:MET34 3.4 11.7 1.0 CB A:ALA33 3.4 13.1 1.0 N2 A:CLM201 3.5 22.4 1.0 C A:MET34 3.5 11.1 1.0 CA A:MET34 3.6 11.7 0.3 CA A:MET34 3.6 10.0 0.7 N A:ASP99 3.8 13.2 1.0 O A:MET34 3.8 12.2 1.0 N A:GLY35 3.9 12.6 1.0 CB A:ASP99 3.9 14.2 1.0 CA A:ALA33 4.0 11.8 1.0 CA A:ASP99 4.1 13.5 1.0 C7 A:CLM201 4.1 21.5 1.0 C8 A:CLM201 4.1 23.2 1.0 O A:HOH363 4.3 18.3 1.0 CG A:ASP99 4.4 16.6 1.0 CA A:GLY35 4.5 12.6 1.0 C A:ALA98 4.5 12.0 1.0 C6 A:CLM201 4.6 21.2 1.0 C9 A:CLM201 4.6 25.6 1.0 OD2 A:ASP99 4.7 16.0 1.0 C3 A:CLM201 4.7 20.2 1.0 CB A:ALA50 4.8 13.4 1.0 O A:ALA97 4.9 13.4 1.0 CA A:ALA98 4.9 12.7 1.0 N A:ALA33 4.9 11.2 1.0 OD1 A:ASP99 5.0 20.7 1.0

Chlorine binding site 2 out of 4 in the Vhh Chl-B2 in Complex with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Vhh Chl-B2 in Complex with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:27.1 occ:1.00 CL2 A:CLM201 0.0 27.1 1.0 C1 A:CLM201 1.7 30.0 1.0 C2 A:CLM201 2.7 27.7 1.0 CL1 A:CLM201 2.8 34.8 1.0 O2 A:CLM201 3.0 26.7 1.0 O A:ALA97 3.4 13.4 1.0 C A:ALA97 3.5 12.3 1.0 CB A:ALA97 3.5 15.5 1.0 N A:GLY35 3.5 12.6 1.0 C A:ALA98 3.6 12.0 1.0 N A:ALA98 3.7 12.5 1.0 N A:ASP99 3.8 13.2 1.0 N2 A:CLM201 3.8 22.4 1.0 CA A:GLY35 3.9 12.6 1.0 CA A:ALA98 3.9 12.7 1.0 CE1 A:PHE37 3.9 14.1 1.0 O A:ALA98 3.9 13.8 1.0 CB A:PRO111 4.0 14.9 1.0 CG A:PRO111 4.1 15.3 1.0 CA A:ALA97 4.1 12.7 1.0 C A:MET34 4.1 11.1 1.0 O A:HOH363 4.2 18.3 1.0 CZ A:PHE37 4.4 15.1 1.0 CA A:MET34 4.4 11.7 0.3 CA A:MET34 4.4 10.0 0.7 CA A:ASP99 4.4 13.5 1.0 C A:GLY35 4.7 11.9 1.0 O A:ALA33 4.8 11.9 1.0 N A:ALA97 4.8 12.6 1.0 O A:GLY35 4.8 13.0 1.0 CA A:PRO111 4.8 13.8 1.0 O A:MET34 4.9 12.2 1.0

Chlorine binding site 3 out of 4 in the Vhh Chl-B2 in Complex with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Vhh Chl-B2 in Complex with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:34.2 occ:1.00 CL1 B:CLM201 0.0 34.2 1.0 C1 B:CLM201 1.8 28.2 1.0 C2 B:CLM201 2.6 26.1 1.0 CL2 B:CLM201 2.8 27.9 1.0 O2 B:CLM201 3.1 25.0 1.0 C B:ALA33 3.3 12.7 1.0 O B:ALA33 3.4 12.9 1.0 N B:MET34 3.4 12.4 1.0 CB B:ALA33 3.4 13.9 1.0 N2 B:CLM201 3.5 21.9 1.0 C B:MET34 3.6 12.9 1.0 CA B:MET34 3.6 13.4 0.3 CA B:MET34 3.6 11.8 0.7 N B:ASP99 3.8 14.0 1.0 O B:MET34 3.9 14.0 1.0 C7 B:CLM201 3.9 22.7 1.0 N B:GLY35 3.9 13.2 1.0 CB B:ASP99 3.9 16.1 1.0 C8 B:CLM201 4.0 24.9 1.0 CA B:ALA33 4.0 13.4 1.0 CA B:ASP99 4.1 14.5 1.0 O B:HOH362 4.3 19.4 1.0 CG B:ASP99 4.3 17.9 1.0 C B:ALA98 4.5 13.2 1.0 C6 B:CLM201 4.5 22.2 1.0 CA B:GLY35 4.5 13.4 1.0 OD2 B:ASP99 4.6 16.6 1.0 C9 B:CLM201 4.6 27.5 1.0 C3 B:CLM201 4.7 19.6 1.0 CB B:ALA50 4.7 14.4 1.0 O B:ALA97 4.9 14.6 1.0 OD1 B:ASP99 4.9 22.8 1.0 CA B:ALA98 5.0 14.1 1.0 N B:ALA33 5.0 12.8 1.0

Chlorine binding site 4 out of 4 in the Vhh Chl-B2 in Complex with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Vhh Chl-B2 in Complex with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:27.9 occ:1.00 CL2 B:CLM201 0.0 27.9 1.0 C1 B:CLM201 1.7 28.2 1.0 C2 B:CLM201 2.7 26.1 1.0 CL1 B:CLM201 2.8 34.2 1.0 O2 B:CLM201 3.1 25.0 1.0 O B:ALA97 3.4 14.6 1.0 C B:ALA97 3.4 12.6 1.0 CB B:ALA97 3.5 15.2 1.0 N B:GLY35 3.5 13.2 1.0 C B:ALA98 3.7 13.2 1.0 N B:ALA98 3.7 13.7 1.0 N2 B:CLM201 3.8 21.9 1.0 N B:ASP99 3.9 14.0 1.0 CA B:GLY35 3.9 13.4 1.0 CE1 B:PHE37 3.9 14.6 1.0 CA B:ALA98 3.9 14.1 1.0 O B:ALA98 4.0 15.7 1.0 CA B:ALA97 4.0 12.4 1.0 CB B:PRO111 4.1 15.4 1.0 C B:MET34 4.1 12.9 1.0 CG B:PRO111 4.1 14.9 1.0 O B:HOH362 4.3 19.4 1.0 CA B:MET34 4.4 13.4 0.3 CZ B:PHE37 4.4 15.6 1.0 CA B:MET34 4.4 11.8 0.7 CA B:ASP99 4.5 14.5 1.0 C B:GLY35 4.7 12.2 1.0 N B:ALA97 4.8 12.1 1.0 O B:ALA33 4.8 12.9 1.0 O B:GLY35 4.8 12.9 1.0 O B:MET34 4.9 14.0 1.0 CA B:PRO111 4.9 14.4 1.0

C.A.Swofford, S.A.Nordeen, L.Chen, M.M.Desai, J.Chen, S.L.Springs, T.U.Schwartz, A.J.Sinskey. Structure and Specificity of An Anti-Chloramphenicol Single Domain Antibody For Detection of Amphenicol Residues. Protein Sci. V. 31 E4457 2022.
ISSN: ESSN 1469-896X
PubMed: 36153664
DOI: 10.1002/PRO.4457