Gold in PDB 5gu0: Crystal Structure of Au.Cl-Apo-E45C/R52C-Rhlfr

The structure of Crystal Structure of Au.Cl-Apo-E45C/R52C-Rhlfr, PDB code: 5gu0 was solved by B.Maity, S.Abe, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.98 / 1.95
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.892, 180.892, 180.892, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.5

The structure of Crystal Structure of Au.Cl-Apo-E45C/R52C-Rhlfr also contains other interesting chemical elements:

Cadmium

(Cd)

3 atoms

The binding sites of Gold atom in the Crystal Structure of Au.Cl-Apo-E45C/R52C-Rhlfr (pdb code 5gu0). 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.Cl-Apo-E45C/R52C-Rhlfr, PDB code: 5gu0:
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.Cl-Apo-E45C/R52C-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.Cl-Apo-E45C/R52C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ X:Au201 b:28.8 occ:0.55 SG X:CYS48 2.2 30.5 1.0 SG X:CYS52 2.2 28.4 0.5 O X:CYS48 3.0 21.8 1.0 AU X:AU202 3.3 42.5 0.5 CB X:CYS52 3.3 24.9 0.5 AU X:AU203 3.3 42.5 0.5 C X:CYS48 3.4 22.9 1.0 CB X:CYS48 3.4 25.3 1.0 CB X:CYS52 3.6 26.9 0.5 O X:GLY34 3.6 22.1 1.0 C X:GLY34 3.6 22.9 1.0 CA X:GLY34 3.6 21.2 1.0 CA X:CYS48 3.7 23.2 1.0 N X:HIS49 4.3 21.1 1.0 N X:PHE35 4.3 20.9 1.0 CA X:CYS52 4.4 23.9 0.5 N X:CYS52 4.4 19.6 1.0 CA X:CYS52 4.4 23.0 0.5 SG X:CYS52 4.6 33.6 0.5 CA X:HIS49 4.8 23.0 1.0

Gold binding site 2 out of 8 in the Crystal Structure of Au.Cl-Apo-E45C/R52C-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.Cl-Apo-E45C/R52C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ X:Au202 b:42.5 occ:0.50 SG X:CYS48 2.2 30.5 1.0 ND1 X:HIS49 2.7 51.1 1.0 CB X:CYS48 3.0 25.3 1.0 N X:HIS49 3.1 21.1 1.0 CE1 X:HIS49 3.1 49.0 1.0 C X:CYS48 3.2 22.9 1.0 AU X:AU201 3.3 28.8 0.6 CG X:HIS49 3.4 49.4 1.0 CA X:HIS49 3.5 23.0 1.0 O X:CYS45 3.6 21.6 1.0 CA X:CYS48 3.7 23.2 1.0 O X:CYS48 3.8 21.8 1.0 NE2 X:HIS49 3.8 50.0 1.0 CB X:HIS49 4.0 30.7 1.0 CD2 X:HIS49 4.0 48.8 1.0 C X:CYS45 4.6 22.0 1.0 N X:CYS48 4.7 20.1 1.0 SG X:CYS45 4.8 37.0 1.0 C X:HIS49 5.0 21.6 1.0 CA X:CYS45 5.0 22.6 1.0

Gold binding site 3 out of 8 in the Crystal Structure of Au.Cl-Apo-E45C/R52C-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.Cl-Apo-E45C/R52C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ X:Au203 b:42.5 occ:0.50 SG X:CYS52 2.3 28.4 0.5 SG X:CYS52 3.0 33.6 0.5 CB X:CYS52 3.0 24.9 0.5 AU X:AU201 3.3 28.8 0.6 CB X:CYS52 3.5 26.9 0.5 CE2 X:PHE35 3.7 24.4 1.0 CZ X:PHE35 4.0 25.8 1.0 CA X:CYS52 4.4 23.9 0.5 CA X:CYS52 4.4 23.0 0.5 CD2 X:PHE35 4.5 23.0 1.0 CD1 X:LEU31 4.9 24.0 1.0 CE1 X:PHE35 4.9 22.9 1.0

Gold binding site 4 out of 8 in the Crystal Structure of Au.Cl-Apo-E45C/R52C-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.Cl-Apo-E45C/R52C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ X:Au204 b:46.1 occ:0.55 SG X:CYS126 2.3 52.6 1.0 ND1 X:HIS114 2.3 45.8 1.0 O X:HIS114 3.1 35.3 1.0 CB X:CYS126 3.1 46.2 1.0 CG X:HIS114 3.1 49.4 1.0 CB X:HIS114 3.3 37.5 1.0 CE1 X:HIS114 3.3 49.9 1.0 CA X:HIS114 3.5 36.2 1.0 C X:HIS114 3.6 35.4 1.0 AU X:AU205 3.7 55.8 0.6 CA X:CYS126 3.9 42.9 1.0 N X:SER118 4.2 41.5 1.0 CB X:SER118 4.3 45.8 1.0 CD2 X:HIS114 4.3 52.1 1.0 NE2 X:HIS114 4.4 52.1 1.0 CA X:SER118 4.7 44.8 1.0 N X:CYS126 4.8 39.2 1.0 C X:GLY117 4.8 39.1 1.0 OE2 X:GLU130 4.8 64.5 1.0 N X:ALA115 4.8 34.1 1.0 N X:HIS114 4.9 32.3 1.0 CA X:GLY117 4.9 35.6 1.0

Gold binding site 5 out of 8 in the Crystal Structure of Au.Cl-Apo-E45C/R52C-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.Cl-Apo-E45C/R52C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ X:Au205 b:55.8 occ:0.55 SG X:CYS126 2.4 52.6 1.0 CB X:CYS126 3.2 46.2 1.0 CA X:SER118 3.5 44.8 1.0 O X:ASP122 3.6 37.8 1.0 N X:SER118 3.7 41.5 1.0 AU X:AU204 3.7 46.1 0.6 CB X:SER118 3.7 45.8 1.0 O X:GLY117 3.8 38.9 1.0 C X:GLY117 3.8 39.1 1.0 C X:ASP122 3.9 37.3 1.0 CA X:PRO123 3.9 35.5 1.0 N X:PRO123 4.1 37.3 1.0 N X:ASP122 4.2 37.6 1.0 CA X:CYS126 4.5 42.9 1.0 CA X:ASP122 4.7 36.9 1.0 N X:CYS126 4.7 39.2 1.0 CB X:PRO123 4.8 40.6 1.0 CA X:GLY117 4.8 35.6 1.0 C X:SER118 4.8 42.9 1.0 C X:PRO123 4.9 35.4 1.0

Gold binding site 6 out of 8 in the Crystal Structure of Au.Cl-Apo-E45C/R52C-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.Cl-Apo-E45C/R52C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ X:Au206 b:26.0 occ:0.50 SD X:MET96 1.9 35.0 1.0 ND1 X:HIS147 2.3 27.8 1.0 AU X:AU207 2.4 35.0 0.3 CE X:MET96 2.5 29.2 1.0 CG X:HIS147 3.1 23.4 1.0 CG X:MET96 3.1 33.1 1.0 CB X:HIS147 3.2 22.0 1.0 CE1 X:HIS147 3.3 22.3 1.0 CE2 X:PHE50 3.5 27.5 1.0 CZ X:PHE50 3.7 28.0 1.0 CD2 X:PHE50 4.1 26.1 1.0 CD2 X:HIS147 4.2 25.1 1.0 CB X:MET96 4.2 25.1 1.0 NE2 X:HIS147 4.3 24.3 1.0 CE1 X:PHE50 4.4 29.9 1.0 CE2 X:PHE166 4.6 23.9 1.0 CD2 X:LEU171 4.6 27.1 1.0 CG X:PHE50 4.7 24.6 1.0 CZ X:PHE166 4.7 23.2 1.0 CA X:HIS147 4.7 19.9 1.0 CD1 X:ILE151 4.8 28.0 1.0 CD1 X:PHE50 4.8 28.2 1.0

Gold binding site 7 out of 8 in the Crystal Structure of Au.Cl-Apo-E45C/R52C-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.Cl-Apo-E45C/R52C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ X:Au207 b:35.0 occ:0.30 AU X:AU206 2.4 26.0 0.5 ND1 X:HIS147 2.4 27.8 1.0 CZ X:PHE50 2.8 28.0 1.0 CG X:MET144 3.0 28.6 1.0 SD X:MET96 3.1 35.0 1.0 CE2 X:PHE50 3.2 27.5 1.0 CA X:MET144 3.2 21.8 1.0 CE1 X:HIS147 3.3 22.3 1.0 CG X:HIS147 3.4 23.4 1.0 CB X:MET144 3.6 25.3 1.0 CB X:HIS147 3.7 22.0 1.0 CE1 X:PHE50 3.7 29.9 1.0 N X:MET144 3.9 22.2 1.0 O X:LYS143 4.1 20.2 1.0 C X:LYS143 4.2 23.0 1.0 CE X:MET96 4.3 29.2 1.0 C X:MET144 4.3 23.9 1.0 NE2 X:HIS147 4.3 24.3 1.0 O X:MET144 4.4 22.2 1.0 CD2 X:HIS147 4.4 25.1 1.0 CD2 X:PHE50 4.4 26.1 1.0 CE X:MET144 4.5 31.6 1.0 SD X:MET144 4.5 33.9 1.0 CG X:MET96 4.6 33.1 1.0 CG X:LYS143 4.7 37.8 1.0 CD1 X:PHE50 4.7 28.2 1.0

Gold binding site 8 out of 8 in the Crystal Structure of Au.Cl-Apo-E45C/R52C-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.Cl-Apo-E45C/R52C-Rhlfr within 5.0Å range: probe atom residue distance (Å) B Occ X:Au208 b:43.9 occ:0.40 NE2 X:HIS147 2.1 24.3 1.0 CE1 X:HIS147 2.6 22.3 1.0 CD2 X:HIS147 3.4 25.1 1.0 ND1 X:HIS147 3.9 27.8 1.0 CG2 X:THR170 3.9 23.1 1.0 CD2 X:LEU171 3.9 27.1 1.0 CG X:HIS147 4.3 23.4 1.0 CD X:LYS143 4.3 46.9 1.0 CG X:LYS143 4.4 37.8 1.0 O X:THR170 4.6 22.2 1.0 NZ X:LYS143 4.7 66.0 1.0 CE1 X:PHE50 4.9 29.9 1.0 CE X:LYS143 4.9 55.5 1.0 CD1 X:PHE50 5.0 28.2 1.0 O X:HOH365 5.0 28.6 1.0

B.Maity, S.Abe, T.Ueno. Observation of Gold Sub-Nanocluster Nucleation Within A Crystalline Protein Cage Nat Commun V. 8 14820 2017.
ISSN: ESSN 2041-1723
PubMed: 28300064
DOI: 10.1038/NCOMMS14820