Gold in PDB 4ac6: Corynebacterium Glutamicum Acnr Au Derivative Structure

The structure of Corynebacterium Glutamicum Acnr Au Derivative Structure, PDB code: 4ac6 was solved by J.Garcia-Nafria, M.Baumgart, J.P.Turkenburg, A.J.Wilkinson, M.Bott, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.25 / 2.54
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	34.142, 72.886, 73.250, 90.00, 90.00, 90.00
R / Rfree (%)	19.454 / 26.336

The binding sites of Gold atom in the Corynebacterium Glutamicum Acnr Au Derivative Structure (pdb code 4ac6). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 4 binding sites of Gold where determined in the Corynebacterium Glutamicum Acnr Au Derivative Structure, PDB code: 4ac6:
Jump to Gold binding site number: 1; 2; 3; 4;

Gold binding site 1 out of 4 in the Corynebacterium Glutamicum Acnr Au Derivative Structure


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Corynebacterium Glutamicum Acnr Au Derivative Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Au1187 b:41.3 occ:0.80 CG2 A:VAL73 3.6 9.1 1.0 O A:VAL82 3.7 12.6 1.0 CG1 A:VAL73 3.8 9.3 1.0 CA A:VAL82 3.8 12.7 1.0 CA A:GLY85 3.8 17.2 1.0 O A:GLU81 3.9 12.3 1.0 CB A:VAL73 4.1 9.6 1.0 C A:VAL82 4.2 13.1 1.0 N A:GLY85 4.4 17.6 1.0 O A:HOH2026 4.4 35.2 1.0 C A:GLY85 4.5 17.6 1.0 C A:GLU81 4.6 11.9 1.0 N A:VAL82 4.6 12.3 1.0 CB A:VAL82 4.7 12.5 1.0 CG1 A:VAL82 4.7 12.2 1.0 N A:MET86 4.8 18.1 1.0 CG2 A:VAL82 4.9 12.1 1.0

Gold binding site 2 out of 4 in the Corynebacterium Glutamicum Acnr Au Derivative Structure


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Corynebacterium Glutamicum Acnr Au Derivative Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Au1188 b:37.7 occ:1.00 OD2 A:ASP66 3.7 14.2 1.0 CG A:MET96 3.8 18.5 1.0 CD A:ARG99 3.8 18.6 1.0 NH1 A:ARG99 3.9 15.9 1.0 CG A:ASP66 4.1 14.8 1.0 NE A:ARG99 4.2 17.6 1.0 O A:HOH2020 4.2 38.5 1.0 CZ A:ARG99 4.2 16.9 1.0 NE1 A:TRP95 4.3 13.1 1.0 CB A:ASP66 4.3 14.6 1.0 CE A:MET86 4.3 23.9 1.0 CD1 A:TRP95 4.4 13.1 1.0 SD A:MET70 4.5 12.4 1.0 SD A:MET96 4.5 19.6 1.0 NH2 A:ARG69 4.7 17.8 1.0 OD1 A:ASP66 4.8 15.1 1.0 CD1 A:ILE161 4.8 13.9 1.0

Gold binding site 3 out of 4 in the Corynebacterium Glutamicum Acnr Au Derivative Structure


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 3 of Corynebacterium Glutamicum Acnr Au Derivative Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Au1189 b:23.4 occ:0.50 ND1 A:HIS27 1.9 26.8 1.0 SG A:CYS23 2.5 10.7 1.0 CE1 A:HIS27 2.8 27.8 1.0 O A:CYS23 2.9 15.5 1.0 CB A:CYS23 3.0 13.8 1.0 CG A:HIS27 3.0 26.0 1.0 CA A:CYS23 3.0 15.1 1.0 C A:CYS23 3.3 15.4 1.0 CB A:HIS27 3.5 25.4 1.0 NE2 A:HIS27 3.9 28.8 1.0 CB A:ARG36 4.0 22.8 1.0 CG A:GLU26 4.0 31.7 1.0 CD2 A:HIS27 4.1 26.4 1.0 CA A:ALA32 4.3 25.5 1.0 CD A:ARG36 4.3 24.0 1.0 N A:HIS27 4.3 22.8 1.0 OE2 A:GLU26 4.3 34.7 1.0 O A:GLY31 4.4 27.2 1.0 N A:CYS23 4.4 16.4 1.0 N A:PHE24 4.5 16.2 1.0 CG A:ARG36 4.5 23.3 1.0 CA A:HIS27 4.6 24.3 1.0 CB A:ALA32 4.6 24.5 1.0 CD A:GLU26 4.6 35.9 1.0 N A:ALA32 4.9 27.7 1.0 C A:GLY31 4.9 28.2 1.0 O A:ARG36 4.9 21.9 1.0 C A:ARG36 5.0 21.7 1.0 NE A:ARG36 5.0 24.6 1.0

Gold binding site 4 out of 4 in the Corynebacterium Glutamicum Acnr Au Derivative Structure


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 4 of Corynebacterium Glutamicum Acnr Au Derivative Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Au1190 b:26.6 occ:1.00 CD2 A:LEU131 3.4 11.4 1.0 CD1 A:LEU153 3.7 12.4 1.0 ND2 A:ASN134 3.7 12.1 1.0 CA A:GLY78 4.0 10.8 1.0 CG A:LEU131 4.2 11.1 1.0 N A:LEU79 4.2 11.0 1.0 CG A:ARG130 4.4 10.6 1.0 C A:GLY78 4.6 10.9 1.0 CD1 A:LEU131 5.0 10.5 1.0

J.Garcia-Nafria, M.Baumgart, J.P.Turkenburg, A.J.Wilkinson, M.Bott, K.S.Wilson. Crystal and Solution Studies Reveal That the Transcriptional Regulator Acnr of Corynebacterium Glutamicum Is Regulated By Citrate:MG2+ Binding to A Non- Canonical Pocket. J.Biol.Chem. V. 288 15800 2013.
ISSN: ISSN 0021-9258
PubMed: 23589369
DOI: 10.1074/JBC.M113.462440