Gold in PDB 4qy9: X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound

All present enzymatic activity of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound:
3.2.1.17;

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound, PDB code: 4qy9 was solved by I.Russo Krauss, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.19 / 2.05
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.943, 76.943, 37.464, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 28.9

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Gold atom in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound (pdb code 4qy9). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 2 binding sites of Gold where determined in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound, PDB code: 4qy9:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Au408 b:57.0 occ:0.40 O A:HOH501 1.9 13.0 0.4 NE2 A:HIS15 2.3 35.9 1.0 CD2 A:HIS15 3.0 35.2 1.0 NH1 A:ARG14 3.1 40.4 1.0 CG1 A:ILE88 3.1 31.4 1.0 CE1 A:HIS15 3.4 39.9 1.0 OD1 A:ASP87 3.5 41.1 1.0 N A:ILE88 3.7 31.4 1.0 CZ A:ARG14 3.9 43.7 1.0 NH2 A:ARG14 4.0 42.8 1.0 CD1 A:ILE88 4.1 34.2 1.0 CB A:ALA11 4.2 27.4 1.0 CG A:HIS15 4.2 33.7 1.0 CB A:ILE88 4.2 29.2 1.0 OG1 A:THR89 4.2 31.2 1.0 N A:THR89 4.2 31.1 1.0 CA A:ILE88 4.3 30.3 1.0 ND1 A:HIS15 4.4 39.1 1.0 C A:ILE88 4.5 28.3 1.0 C A:ASP87 4.6 34.2 1.0 CG A:ASP87 4.7 44.9 1.0 CA A:ASP87 4.7 37.6 1.0 O A:ALA11 4.8 24.4 1.0 CG2 A:ILE88 4.9 29.2 1.0 CA A:ALA11 4.9 27.7 1.0 CA A:THR89 5.0 32.4 1.0 NE A:ARG14 5.0 45.3 1.0

Gold binding site 2 out of 2 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO3, A Cytotoxic Gold(III) Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Au409 b:56.8 occ:0.40 ND1 A:HIS15 2.4 39.1 1.0 ND2 A:ASN93 2.6 26.8 0.6 CG A:HIS15 3.2 33.7 1.0 CB A:HIS15 3.3 35.5 1.0 CG A:ASN93 3.3 31.0 0.6 CE1 A:HIS15 3.4 39.9 1.0 OD1 A:ASN93 3.4 39.1 0.6 CG1 A:VAL92 3.6 37.1 1.0 O A:HIS15 3.8 38.0 1.0 O A:THR89 3.9 34.1 1.0 CB A:VAL92 3.9 32.8 1.0 CA A:HIS15 4.0 34.1 1.0 CA A:THR89 4.1 32.4 1.0 CG2 A:THR89 4.2 34.0 1.0 CD2 A:HIS15 4.3 35.2 1.0 C A:HIS15 4.3 39.6 1.0 N A:ASN93 4.4 27.7 0.6 NE2 A:HIS15 4.4 35.9 1.0 C A:THR89 4.4 33.6 1.0 CB A:THR89 4.5 36.1 1.0 NZ A:LYS96 4.6 39.7 1.0 OG1 A:THR89 4.6 31.2 1.0 CB A:ASN93 4.6 30.3 0.6 CB A:ASN93 4.8 30.5 0.4 C A:VAL92 4.8 31.7 1.0 CA A:ASN93 4.9 27.3 0.6 CG2 A:VAL92 4.9 32.7 1.0 CA A:VAL92 4.9 33.2 1.0

I.Russo Krauss, L.Messori, M.A.Cinellu, D.Marasco, R.Sirignano, A.Merlino. Interactions of Gold-Based Drugs with Proteins: the Structure and Stability of the Adduct Formed in the Reaction Between Lysozyme and the Cytotoxic Gold(III) Compound AUOXO3. Dalton Trans 2014.
ISSN: ESSN 1477-9234
PubMed: 25340580
DOI: 10.1039/C4DT02332C