Gold 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:

Chlorine	(Cl)	3 atoms
Cadmium	(Cd)	3 atoms

The binding sites of Gold 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 Gold atom.
In total 8 binding sites of Gold where determined in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr, PDB code: 7viu:
Jump to Gold binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Gold binding site 1 out of 8 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au 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:Au201 b:7.3 occ:0.70 SG A:CYS126 2.2 10.7 1.0 CL A:CL204 2.3 14.1 1.0 CB A:CYS126 3.2 9.2 1.0 O A:ASP122 3.4 7.0 1.0 AU A:AU202 3.6 6.6 0.7 C A:ASP122 3.7 7.2 1.0 CA A:SER118 3.8 10.2 1.0 CA A:PRO123 3.8 6.7 1.0 O A:GLY117 3.8 10.1 1.0 N A:SER118 3.9 9.5 1.0 C A:GLY117 3.9 10.3 1.0 N A:PRO123 4.0 6.8 1.0 N A:ASP122 4.2 7.4 1.0 CB A:SER118 4.3 11.8 1.0 O A:HOH451 4.5 11.5 1.0 CA A:CYS126 4.5 9.2 1.0 N A:CYS126 4.6 7.9 1.0 CA A:ASP122 4.6 7.2 1.0 CB A:PRO123 4.7 8.0 1.0 CA A:GLY117 4.8 8.9 1.0 C A:PRO123 4.8 6.6 1.0 OG A:SER118 4.9 16.5 1.0 CD A:PRO123 4.9 7.6 1.0 C A:SER118 5.0 10.0 1.0

Gold binding site 2 out of 8 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au 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:Au202 b:6.6 occ:0.70 ND1 A:HIS114 2.0 8.6 1.0 SG A:CYS126 2.2 10.7 1.0 CE1 A:HIS114 2.9 9.9 1.0 CG A:HIS114 3.1 9.1 1.0 O A:HIS114 3.1 7.8 1.0 CB A:CYS126 3.2 9.2 1.0 CB A:HIS114 3.5 8.0 1.0 CA A:HIS114 3.5 7.5 1.0 AU A:AU201 3.6 7.3 0.7 C A:HIS114 3.7 8.3 1.0 CA A:CYS126 3.9 9.2 1.0 NE2 A:HIS114 4.0 10.6 1.0 N A:SER118 4.1 9.5 1.0 CD2 A:HIS114 4.1 9.7 1.0 CB A:SER118 4.2 11.8 1.0 O A:HOH451 4.3 11.5 1.0 CA A:SER118 4.6 10.2 1.0 C A:GLY117 4.8 10.3 1.0 N A:CYS126 4.8 7.9 1.0 N A:ALA115 4.9 8.0 1.0 N A:HIS114 4.9 7.5 1.0 CA A:GLY117 5.0 8.9 1.0

Gold binding site 3 out of 8 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au 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:Au203 b:25.3 occ:0.40 SG A:CYS168 2.2 50.8 1.0 CB A:CYS168 3.1 34.0 1.0 O A:CYS168 3.3 26.4 1.0 CA A:CYS168 3.4 27.4 1.0 AU A:AU216 3.4 21.1 0.5 C A:CYS168 3.5 28.9 1.0 CE A:LYS172 4.4 35.2 1.0 CB A:LYS172 4.5 41.6 1.0 N A:CYS169 4.6 25.7 1.0 NZ A:LYS172 4.6 18.1 1.0 N A:CYS168 4.8 21.2 1.0 O A:LYS172 4.9 44.6 1.0

Gold binding site 4 out of 8 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 4 of Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au206 b:17.4 occ:0.30 SG A:CYS169 1.6 40.4 1.0 AU A:AU209 2.7 27.5 0.5 CB A:CYS169 2.7 26.7 1.0 CA A:CYS169 3.6 23.0 1.0 AU A:AU216 4.1 21.1 0.5 O A:CYS169 4.2 27.1 1.0 C A:CYS169 4.4 22.1 1.0 O A:HOH437 4.4 28.2 1.0 N A:CYS169 4.8 25.7 1.0

Gold binding site 5 out of 8 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 5 of Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au209 b:27.5 occ:0.50 AU A:AU206 2.7 17.4 0.3 SG A:CYS169 3.1 40.4 1.0 AU A:AU216 3.2 21.1 0.5 CA A:CYS169 3.5 23.0 1.0 CB A:CYS169 3.8 26.7 1.0 O A:CYS169 4.3 27.1 1.0 N A:CYS169 4.4 25.7 1.0 O A:CYS168 4.4 26.4 1.0 C A:CYS169 4.5 22.1 1.0 C A:CYS168 4.7 28.9 1.0 SG A:CYS168 4.8 50.8 1.0

Gold binding site 6 out of 8 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 6 of Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au212 b:12.6 occ:1.00 ND1 A:HIS49 2.0 15.7 1.0 SG A:CYS48 2.3 10.8 1.0 CE1 A:HIS49 2.9 23.2 1.0 N A:HIS49 3.0 8.1 1.0 O2 A:GOL215 3.1 43.4 1.0 CG A:HIS49 3.1 15.6 1.0 C A:CYS48 3.2 7.2 1.0 CB A:CYS48 3.3 7.9 1.0 CA A:HIS49 3.3 8.1 1.0 O A:GLU45 3.5 11.8 1.0 AU A:AU214 3.5 11.3 0.8 CB A:HIS49 3.6 11.2 1.0 O1 A:GOL215 3.6 46.9 1.0 O A:CYS48 3.8 6.5 1.0 CA A:CYS48 3.8 7.1 1.0 C2 A:GOL215 3.8 33.9 1.0 NE2 A:HIS49 4.0 23.0 1.0 C3 A:GOL220 4.1 29.6 1.0 CD2 A:HIS49 4.2 19.4 1.0 OE2 A:GLU45 4.3 50.4 1.0 C1 A:GOL215 4.3 43.0 1.0 NH1 A:ARG52 4.4 34.3 1.0 CG A:GLU45 4.5 27.2 1.0 C1 A:GOL220 4.5 25.7 1.0 CD A:ARG52 4.5 19.2 1.0 C A:GLU45 4.6 11.0 1.0 CD A:GLU45 4.6 37.2 1.0 NE A:ARG52 4.7 23.1 1.0 CZ A:ARG52 4.7 34.1 1.0 C A:HIS49 4.7 8.0 1.0 N A:CYS48 4.7 7.2 1.0 C2 A:GOL220 4.8 30.6 1.0 O3 A:GOL220 4.8 35.1 1.0 CB A:ARG52 4.9 11.5 1.0 CA A:GLU45 5.0 13.5 1.0

Gold binding site 7 out of 8 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 7 of Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au214 b:11.3 occ:0.80 SG A:CYS48 2.3 10.8 1.0 CL A:CL205 2.3 14.7 1.0 O A:CYS48 3.2 6.5 1.0 C A:GLY34 3.4 7.5 1.0 O A:GLY34 3.4 8.2 1.0 CB A:CYS48 3.5 7.9 1.0 CA A:GLY34 3.5 6.7 1.0 AU A:AU212 3.5 12.6 1.0 C A:CYS48 3.6 7.2 1.0 CA A:CYS48 3.8 7.1 1.0 C3 A:GOL220 3.8 29.6 1.0 N A:PHE35 3.9 6.6 1.0 CB A:ARG52 3.9 11.5 1.0 CD A:ARG52 4.4 19.2 1.0 CA A:PHE35 4.5 7.2 1.0 C1 A:GOL220 4.5 25.7 1.0 O2 A:GOL215 4.5 43.4 1.0 N A:HIS49 4.5 8.1 1.0 CG A:ARG52 4.6 13.5 1.0 N A:ARG52 4.6 8.0 1.0 CA A:ARG52 4.6 9.4 1.0 CD2 A:PHE35 4.7 8.6 1.0 O3 A:GOL220 4.7 35.1 1.0 C2 A:GOL220 4.8 30.6 1.0 CE2 A:PHE35 4.8 9.5 1.0 CG A:PHE35 4.8 7.4 1.0 N A:GLY34 4.8 6.6 1.0 CZ A:PHE35 4.9 9.0 1.0 CD1 A:PHE35 4.9 8.4 1.0 CB A:ASP38 5.0 9.0 1.0 CE1 A:PHE35 5.0 9.8 1.0

Gold binding site 8 out of 8 in the Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 8 of Crystal Structure of Au(200EQ)-Apo-R168C/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au216 b:21.1 occ:0.50 SG A:CYS168 1.9 50.8 1.0 N A:CYS169 3.0 25.7 1.0 CB A:CYS168 3.0 34.0 1.0 C A:CYS168 3.0 28.9 1.0 SG A:CYS169 3.1 40.4 1.0 AU A:AU209 3.2 27.5 0.5 CA A:CYS169 3.2 23.0 1.0 AU A:AU203 3.4 25.3 0.4 CB A:CYS169 3.5 26.7 1.0 O A:CYS168 3.5 26.4 1.0 CA A:CYS168 3.5 27.4 1.0 AU A:AU206 4.1 17.4 0.3 O A:LEU165 4.3 15.5 1.0 CD2 A:LEU165 4.3 25.4 1.0 N A:CYS168 4.5 21.2 1.0 C A:CYS169 4.7 22.1 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