Chlorine in PDB 7vit: Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr

The structure of Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr, PDB code: 7vit was solved by C.Lu, X.Peng, B.Maity, N.Ito, S.Abe, T.Ueno, D.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.96 / 1.90
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.889, 180.889, 180.889, 90, 90, 90
R / Rfree (%)	18.3 / 21.7

The structure of Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr also contains other interesting chemical elements:

Gold	(Au)	8 atoms
Cadmium	(Cd)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr (pdb code 7vit). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr, PDB code: 7vit:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl214 b:14.1 occ:1.00 AU A:AU204 2.2 17.1 1.0 CB A:ARG52 3.6 13.5 1.0 CE2 A:PHE35 3.6 13.4 1.0 CD2 A:PHE35 3.7 11.9 1.0 CA A:GLY34 3.7 11.2 1.0 CA A:ARG52 3.9 12.6 1.0 CG A:ARG52 3.9 16.2 1.0 N A:PHE35 3.9 9.9 1.0 C A:GLY34 4.0 11.0 1.0 O A:LEU31 4.0 11.1 1.0 O A:CYS48 4.2 12.1 1.0 CD1 A:LEU31 4.2 9.7 1.0 CD A:ARG52 4.3 19.5 1.0 N A:ARG52 4.3 11.7 1.0 CZ A:PHE35 4.3 14.5 1.0 SG A:CYS48 4.4 12.1 1.0 CG A:PHE35 4.5 11.5 1.0 CA A:LEU31 4.5 10.1 1.0 N A:GLY34 4.6 11.2 1.0 O A:TYR30 4.7 9.1 1.0 O A:GLY34 4.7 10.3 1.0 C A:LEU31 4.7 9.9 1.0 CA A:PHE35 4.8 11.0 1.0 O A:HOH503 4.8 33.0 1.0 CE1 A:PHE35 5.0 13.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Au(400EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl215 b:14.6 occ:0.80 AU A:AU205 2.3 18.0 0.8 O A:HOH404 3.7 27.5 1.0 N A:ASP122 3.8 13.9 1.0 CA A:ALA121 3.8 14.2 1.0 N A:PRO123 3.9 12.7 1.0 C A:ALA121 3.9 14.2 1.0 C A:ASP122 4.1 12.4 1.0 CA A:PRO123 4.1 11.1 1.0 CD A:PRO123 4.1 11.5 1.0 CA A:SER118 4.2 16.0 1.0 O A:GLY117 4.2 13.7 1.0 CB A:PRO123 4.3 12.2 1.0 SG A:CYS126 4.3 19.1 1.0 O A:SER118 4.5 16.3 1.0 O A:ASP122 4.5 12.5 1.0 CA A:ASP122 4.6 13.0 1.0 N A:ALA121 4.7 14.5 1.0 CB A:ALA121 4.7 13.1 1.0 N A:SER118 4.7 14.6 1.0 O A:ALA121 4.8 14.5 1.0 OG A:SER118 4.8 17.0 1.0 C A:GLY117 4.8 14.8 1.0 CB A:SER118 4.8 16.5 1.0 C A:SER118 4.9 16.5 1.0 CG A:PRO123 4.9 10.8 1.0

C.Lu, B.Maity, X.Peng, N.Ito, S.Abe, X.Sheng, T.Ueno, D.Lu. Design of A Gold Clustering Site in An Engineered Apo-Ferritin Cage Commun Chem V. 5 2022.
ISSN: ESSN 2399-3669
DOI: 10.1038/S42004-022-00651-1