Gold in PDB 7viq: Crystal Structure of Au(50EQ)-Apo-R168H/L169C-Rhlfr

The structure of Crystal Structure of Au(50EQ)-Apo-R168H/L169C-Rhlfr, PDB code: 7viq 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 / 1.90
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.734, 180.734, 180.734, 90, 90, 90
R / Rfree (%)	16.9 / 19.5

The structure of Crystal Structure of Au(50EQ)-Apo-R168H/L169C-Rhlfr also contains other interesting chemical elements:

Cadmium

(Cd)

4 atoms

The binding sites of Gold atom in the Crystal Structure of Au(50EQ)-Apo-R168H/L169C-Rhlfr (pdb code 7viq). 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(50EQ)-Apo-R168H/L169C-Rhlfr, PDB code: 7viq:
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(50EQ)-Apo-R168H/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(50EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au203 b:32.7 occ:0.20 OE2 A:GLU130 1.8 32.7 1.0 NE2 A:HIS114 1.9 17.0 1.0 CE1 A:HIS114 2.6 16.3 1.0 CB A:CYS126 2.7 18.2 1.0 CD A:GLU130 2.9 28.2 1.0 AU A:AU205 2.9 33.3 0.1 CD2 A:HIS114 2.9 15.4 1.0 AU A:AU204 3.1 35.8 0.1 CA A:CYS126 3.4 19.4 1.0 O A:CYS126 3.4 18.0 1.0 C A:CYS126 3.5 18.7 1.0 CG A:GLU130 3.6 23.7 1.0 SG A:CYS126 3.6 24.8 1.0 AU A:AU206 3.6 39.3 0.1 OE1 A:GLU130 3.8 36.2 1.0 ND1 A:HIS114 3.8 18.1 1.0 CG A:HIS114 3.9 16.5 1.0 N A:ASP127 4.3 17.9 1.0 CD A:CD212 4.3 87.2 0.3 AU A:AU209 4.7 27.3 0.3 N A:CYS126 4.8 15.2 1.0 CB A:GLU130 4.9 20.9 1.0

Gold binding site 2 out of 8 in the Crystal Structure of Au(50EQ)-Apo-R168H/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(50EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au204 b:35.8 occ:0.15 SG A:CYS126 2.1 24.8 1.0 CE1 A:HIS114 2.1 16.3 1.0 ND1 A:HIS114 2.2 18.1 1.0 NE2 A:HIS114 2.4 17.0 1.0 O A:HIS114 2.6 14.8 1.0 CG A:HIS114 2.6 16.5 1.0 CD2 A:HIS114 2.7 15.4 1.0 CB A:CYS126 3.0 18.2 1.0 AU A:AU203 3.1 32.7 0.2 AU A:AU205 3.1 33.3 0.1 C A:HIS114 3.4 13.9 1.0 CA A:HIS114 3.6 13.5 1.0 CB A:HIS114 3.7 13.6 1.0 CA A:CYS126 3.7 19.4 1.0 N A:SER118 3.8 16.0 1.0 CB A:SER118 3.8 21.0 1.0 AU A:AU209 4.0 27.3 0.3 CA A:SER118 4.2 17.7 1.0 O A:HOH329 4.3 21.4 1.0 N A:ALA115 4.5 13.6 1.0 C A:GLY117 4.6 16.7 1.0 OG A:SER118 4.6 26.1 1.0 N A:CYS126 4.7 15.2 1.0 OE2 A:GLU130 4.7 32.7 1.0 C A:CYS126 4.8 18.7 1.0 AU A:AU206 4.8 39.3 0.1 CA A:GLY117 4.9 14.9 1.0 O A:CYS126 5.0 18.0 1.0

Gold binding site 3 out of 8 in the Crystal Structure of Au(50EQ)-Apo-R168H/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(50EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au205 b:33.3 occ:0.15 AU A:AU206 2.2 39.3 0.1 AU A:AU203 2.9 32.7 0.2 AU A:AU209 3.1 27.3 0.3 AU A:AU204 3.1 35.8 0.1 CE1 A:HIS114 3.3 16.3 1.0 SG A:CYS126 3.4 24.8 1.0 CB A:CYS126 3.5 18.2 1.0 NE2 A:HIS114 3.7 17.0 1.0 OG A:SER118 4.0 26.1 1.0 CB A:SER118 4.2 21.0 1.0 OE2 A:GLU130 4.3 32.7 1.0 ND1 A:HIS114 4.3 18.1 1.0 CA A:SER118 4.6 17.7 1.0 O A:HOH458 4.8 20.6 1.0 CD2 A:HIS114 4.9 15.4 1.0 CA A:CYS126 5.0 19.4 1.0

Gold binding site 4 out of 8 in the Crystal Structure of Au(50EQ)-Apo-R168H/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(50EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au206 b:39.3 occ:0.15 AU A:AU205 2.2 33.3 0.1 AU A:AU209 2.9 27.3 0.3 AU A:AU203 3.6 32.7 0.2 CB A:CYS126 3.7 18.2 1.0 O A:HOH458 4.0 20.6 1.0 SG A:CYS126 4.2 24.8 1.0 CD A:CD212 4.4 87.2 0.3 CA A:PRO123 4.5 13.0 1.0 OE2 A:GLU130 4.6 32.7 1.0 CB A:PRO123 4.6 13.0 1.0 AU A:AU204 4.8 35.8 0.1

Gold binding site 5 out of 8 in the Crystal Structure of Au(50EQ)-Apo-R168H/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(50EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au207 b:40.8 occ:0.40 SG A:CYS169 1.9 50.9 1.0 AU A:AU208 3.1 29.0 0.3 O A:HOH467 3.4 22.7 1.0 CB A:CYS169 3.5 45.9 1.0 CB A:HIS168 3.6 41.0 1.0 N A:CYS169 3.9 42.8 1.0 C A:HIS168 4.1 40.4 1.0 CA A:CYS169 4.1 40.2 1.0 O A:HIS168 4.4 39.9 1.0 CA A:HIS168 4.5 41.4 1.0 CD2 A:LEU165 4.5 29.0 1.0 CG A:HIS168 4.5 43.5 1.0 CD2 A:HIS168 4.7 44.7 1.0 O A:LEU165 5.0 21.0 1.0

Gold binding site 6 out of 8 in the Crystal Structure of Au(50EQ)-Apo-R168H/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(50EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au208 b:29.0 occ:0.30 SG A:CYS169 2.6 50.9 1.0 AU A:AU207 3.1 40.8 0.4 CD2 A:LEU165 3.3 29.0 1.0 CB A:CYS169 3.9 45.9 1.0 O A:HOH467 4.0 22.7 1.0 CG A:LEU165 4.7 27.1 1.0

Gold binding site 7 out of 8 in the Crystal Structure of Au(50EQ)-Apo-R168H/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(50EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au209 b:27.3 occ:0.30 O A:HOH458 2.5 20.6 1.0 SG A:CYS126 2.6 24.8 1.0 AU A:AU206 2.9 39.3 0.1 AU A:AU205 3.1 33.3 0.1 CB A:CYS126 3.2 18.2 1.0 CA A:PRO123 3.6 13.0 1.0 O A:ASP122 3.6 13.2 1.0 CA A:SER118 3.7 17.7 1.0 C A:ASP122 3.8 13.2 1.0 N A:PRO123 3.8 12.9 1.0 N A:SER118 4.0 16.0 1.0 AU A:AU204 4.0 35.8 0.1 O A:GLY117 4.1 15.4 1.0 C A:GLY117 4.1 16.7 1.0 N A:ASP122 4.2 12.1 1.0 CB A:PRO123 4.3 13.0 1.0 CB A:SER118 4.4 21.0 1.0 OG A:SER118 4.5 26.1 1.0 CA A:CYS126 4.6 19.4 1.0 CA A:ASP122 4.6 11.8 1.0 CD A:PRO123 4.7 12.8 1.0 C A:PRO123 4.7 13.5 1.0 AU A:AU203 4.7 32.7 0.2 N A:CYS126 4.8 15.2 1.0 C A:SER118 4.8 17.3 1.0 O A:PRO123 4.9 13.3 1.0 O A:SER118 4.9 17.5 1.0 C A:ALA121 4.9 12.3 1.0

Gold binding site 8 out of 8 in the Crystal Structure of Au(50EQ)-Apo-R168H/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(50EQ)-Apo-R168H/L169C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Au210 b:20.5 occ:0.50 ND1 A:HIS49 2.1 18.4 0.5 SG A:CYS48 2.4 15.2 1.0 CE1 A:HIS49 2.9 18.9 0.5 O A:HOH301 2.9 43.2 1.0 N A:HIS49 3.0 11.5 0.5 N A:HIS49 3.0 11.7 0.5 CG A:HIS49 3.1 17.2 0.5 CB A:CYS48 3.2 11.5 1.0 CA A:HIS49 3.3 12.5 0.5 CA A:HIS49 3.3 12.0 0.5 C A:CYS48 3.3 11.7 1.0 O A:GLU45 3.4 14.7 1.0 CB A:HIS49 3.5 14.2 0.5 CB A:HIS49 3.6 13.2 0.5 O A:HOH423 3.6 50.0 1.0 CA A:CYS48 3.8 12.0 1.0 O A:CYS48 3.8 10.1 1.0 NE2 A:HIS49 4.0 20.7 0.5 CD2 A:HIS49 4.1 19.3 0.5 OE2 A:GLU45 4.2 28.2 1.0 CD A:ARG52 4.2 28.3 1.0 C A:GLU45 4.5 14.0 1.0 CG A:HIS49 4.7 15.1 0.5 N A:CYS48 4.7 11.0 1.0 C A:HIS49 4.7 11.4 0.5 C A:HIS49 4.7 11.6 0.5 CG A:ARG52 4.7 22.0 1.0 CA A:GLU45 4.8 16.0 1.0 ND1 A:HIS49 4.8 16.9 0.5 NH1 A:ARG52 4.9 37.6 1.0 CB A:GLU45 5.0 20.5 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