Chlorine in PDB 7viu: Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr

The structure of Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr, PDB code: 7viu 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)	12.95 / 1.50
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.786, 180.786, 180.786, 90, 90, 90
R / Rfree (%)	15.1 / 16.7

The structure of Crystal Structure of Au(200EQ)-Apo-R168C/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(200EQ)-Apo-R168C/L169C-Rhlfr (pdb code 7viu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr, PDB code: 7viu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Au(200EQ)-Apo-R168C/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(200EQ)-Apo-R168C/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:14.1 occ:1.00 AU A:AU201 2.3 7.3 0.7 O A:HOH364 3.8 27.7 1.0 N A:ASP122 3.8 7.4 1.0 N A:PRO123 3.9 6.8 1.0 CA A:ALA121 3.9 8.7 1.0 C A:ALA121 4.0 8.3 1.0 CA A:PRO123 4.1 6.7 1.0 C A:ASP122 4.1 7.2 1.0 CD A:PRO123 4.2 7.6 1.0 CA A:SER118 4.2 10.2 1.0 CB A:PRO123 4.3 8.0 1.0 O A:GLY117 4.3 10.1 1.0 O A:ASP122 4.5 7.0 1.0 SG A:CYS126 4.5 10.7 1.0 O A:SER118 4.5 11.1 1.0 CA A:ASP122 4.6 7.2 1.0 N A:ALA121 4.7 8.8 1.0 O A:ALA121 4.8 8.8 1.0 CG A:PRO123 4.8 8.1 1.0 N A:SER118 4.9 9.5 1.0 C A:GLY117 4.9 10.3 1.0 C A:SER118 4.9 10.0 1.0 OG A:SER118 4.9 16.5 1.0 CB A:ALA121 4.9 9.2 1.0 CB A:SER118 4.9 11.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Au(200EQ)-Apo-R168C/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(200EQ)-Apo-R168C/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:14.7 occ:1.00 AU A:AU214 2.3 11.3 0.8 CB A:ARG52 3.6 11.5 1.0 CA A:GLY34 3.7 6.7 1.0 CD2 A:PHE35 3.7 8.6 1.0 CE2 A:PHE35 3.8 9.5 1.0 CA A:ARG52 3.8 9.4 1.0 C A:GLY34 3.9 7.5 1.0 CG A:ARG52 3.9 13.5 1.0 N A:PHE35 3.9 6.6 1.0 O A:LEU31 4.0 8.3 1.0 N A:ARG52 4.2 8.0 1.0 O A:CYS48 4.3 6.5 1.0 CD A:ARG52 4.3 19.2 1.0 CD1 A:LEU31 4.3 11.1 1.0 CZ A:PHE35 4.4 9.0 1.0 CG A:PHE35 4.5 7.4 1.0 N A:GLY34 4.5 6.6 1.0 C3 A:GOL220 4.5 29.6 1.0 CA A:LEU31 4.5 7.5 1.0 SG A:CYS48 4.5 10.8 1.0 O A:GLY34 4.6 8.2 1.0 O A:TYR30 4.6 7.0 1.0 C A:LEU31 4.7 7.2 1.0 CA A:PHE35 4.8 7.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl217 b:8.4 occ:0.50 CD A:CD208 2.5 10.2 0.5 O A:HOH319 3.5 13.0 1.0 OD2 A:ASP80 3.6 12.2 1.0 OD1 A:ASP80 3.8 6.7 1.0 CG A:ASP80 4.0 9.2 1.0 OE1 A:GLN79 4.9 14.4 0.5

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