Gold in PDB 3szc: Crystal Structure of Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide

The structure of Crystal Structure of Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide, PDB code: 3szc was solved by M.M.Cherney, Y.Zhang, M.N.G.James, J.H.Weiner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.95 / 2.20
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	149.540, 149.540, 81.740, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 22.4

The binding sites of Gold atom in the Crystal Structure of Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide (pdb code 3szc). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 3 binding sites of Gold where determined in the Crystal Structure of Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide, PDB code: 3szc:
Jump to Gold binding site number: 1; 2; 3;

Gold binding site 1 out of 3 in the Crystal Structure of Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide


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 Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Au503 b:55.4 occ:0.65 SG A:CYS128 2.3 60.3 1.0 CB A:CYS128 3.1 39.1 1.0 CA A:CYS128 3.5 42.4 1.0 C8M A:FAD500 3.7 45.3 1.0 CD1 A:ILE261 3.8 46.5 1.0 CG2 A:ILE261 4.0 31.8 1.0 N A:CYS128 4.1 41.8 1.0 CZ A:PHE264 4.1 34.3 1.0 CD A:PRO262 4.3 26.2 1.0 CE1 A:PHE264 4.3 31.1 1.0 CD1 A:ILE127 4.5 35.2 1.0 C7M A:FAD500 4.5 41.8 1.0 C A:ILE127 4.7 41.5 1.0 C8 A:FAD500 4.7 43.6 1.0 CB A:ILE261 4.8 36.0 1.0 CA A:ILE261 4.8 33.8 1.0 CG1 A:ILE261 4.8 41.7 1.0 C A:CYS128 4.9 43.5 1.0 OG A:SER126 4.9 54.8 1.0 CG A:PRO262 5.0 29.6 1.0

Gold binding site 2 out of 3 in the Crystal Structure of Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide


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 Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Au504 b:85.7 occ:0.24 SG A:CYS160 2.4 71.9 0.5 S A:H2S509 2.5 33.5 0.5 N A:LYS320 3.5 36.8 1.0 O A:LYS320 3.6 38.6 1.0 AU A:AU505 3.7 59.1 0.2 CB A:CYS160 3.9 52.3 1.0 CD1 A:ILE302 3.9 35.7 1.0 CE2 A:PHE264 3.9 32.4 1.0 CA A:PRO319 4.0 37.4 1.0 SG A:CYS160 4.0 46.2 0.6 C1' A:FAD500 4.1 38.2 1.0 CB A:PRO319 4.1 37.1 1.0 OG A:SER159 4.2 39.8 1.0 O A:SER159 4.2 51.8 1.0 C A:PRO319 4.3 38.5 1.0 C A:LYS320 4.3 39.3 1.0 CG1 A:ILE302 4.4 35.9 1.0 CA A:LYS320 4.4 36.4 1.0 CA A:CYS160 4.5 46.8 1.0 CD2 A:PHE264 4.5 34.0 1.0 C A:SER159 4.5 44.6 1.0 N A:CYS160 4.6 45.1 1.0 CB A:LYS320 4.8 38.2 1.0 C2' A:FAD500 4.8 34.2 1.0 O3' A:FAD500 4.8 38.9 1.0 CB A:SER159 4.9 42.2 1.0

Gold binding site 3 out of 3 in the Crystal Structure of Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide


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 Sulfide:Quinone Oxidoreductase From Acidithiobacillus Ferrooxidans in Complex with Gold (I) Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Au505 b:59.1 occ:0.18 SG A:CYS160 2.2 46.2 0.6 SG A:CYS160 2.4 71.9 0.5 S A:H2S508 2.7 94.9 1.0 S A:H2S506 3.1 74.3 1.0 CB A:CYS160 3.4 52.3 1.0 AU A:AU504 3.7 85.7 0.2 CA A:CYS160 3.7 46.8 1.0 C1' A:FAD500 3.8 38.2 1.0 N10 A:FAD500 3.9 34.9 1.0 CB A:PRO319 4.0 37.1 1.0 C9A A:FAD500 4.1 38.0 1.0 CG2 A:THR321 4.3 41.4 1.0 CD A:PRO163 4.4 39.5 1.0 C10 A:FAD500 4.4 33.5 1.0 C9 A:FAD500 4.4 38.2 1.0 C A:CYS160 4.5 47.7 1.0 C5X A:FAD500 4.6 40.6 1.0 O A:SER159 4.7 51.8 1.0 C4X A:FAD500 4.7 38.7 1.0 N5 A:FAD500 4.7 36.3 1.0 CG A:PRO163 4.7 38.0 1.0 SG A:CYS356 4.8 92.8 1.0 N A:PHE161 4.8 39.2 1.0 N1 A:FAD500 4.9 33.0 1.0 N A:CYS160 4.9 45.1 1.0 CG A:PRO319 5.0 41.8 1.0

M.M.Cherney, Y.Zhang, M.N.James, J.H.Weiner. Structure-Activity Characterization of Sulfide:Quinone Oxidoreductase Variants. J.Struct.Biol. V. 178 319 2012.
ISSN: ISSN 1047-8477
PubMed: 22542586
DOI: 10.1016/J.JSB.2012.04.007