Copper in PDB 5t7l: Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1

All present enzymatic activity of Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1:
3.6.3.54;

The structure of Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1, PDB code: 5t7l was solved by R.Caliandro, V.Mirabelli, R.Caliandro, A.Rosato, A.Lasorsa, A.Galliani, F.Arnesano, G.Natile, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.49 / 2.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.617, 54.659, 63.719, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 27.3

The structure of Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1 also contains other interesting chemical elements:

Platinum

(Pt)

2 atoms

The binding sites of Copper atom in the Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1 (pdb code 5t7l). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1, PDB code: 5t7l:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu102 b:39.6 occ:0.72 SG A:CYS15 2.2 43.7 0.7 SG B:CYS18 2.3 38.8 1.0 SG A:CYS12 2.4 8.4 0.3 N A:CYS15 2.8 62.8 0.7 N A:CYS15 2.8 66.9 0.3 CB A:CYS15 3.1 68.7 0.3 CB A:CYS15 3.1 44.7 0.7 CA A:CYS15 3.2 57.0 0.7 CA A:CYS15 3.2 66.5 0.3 CU A:CU104 3.2 22.7 0.3 N B:CYS18 3.5 64.8 1.0 C A:GLY14 3.6 66.7 1.0 CB B:CYS18 3.6 50.5 1.0 CA B:CYS18 3.7 59.3 1.0 CB A:CYS12 3.7 47.5 0.7 C B:SER17 4.0 74.4 1.0 CB B:SER17 4.0 85.3 1.0 CB A:CYS12 4.1 18.4 0.3 CA A:GLY14 4.2 58.9 1.0 O A:GLY14 4.3 73.7 1.0 O B:SER17 4.5 75.1 1.0 SG A:CYS15 4.5 73.0 0.3 SG A:CYS12 4.5 62.0 0.7 N A:CYS12 4.5 56.0 0.7 N A:CYS12 4.5 47.5 0.3 N A:GLY14 4.5 56.6 1.0 CA A:CYS12 4.6 49.5 0.7 CA B:SER17 4.6 76.4 1.0 OG1 B:THR14 4.7 81.8 1.0 C A:CYS15 4.7 60.5 0.7 C A:CYS15 4.7 63.0 0.3 CA A:CYS12 4.7 35.7 0.3 SG B:CYS15 4.7 56.6 0.3 O A:CYS12 4.8 42.6 0.3 C A:CYS12 4.8 48.7 0.7 C A:CYS12 4.8 42.2 0.3 O A:CYS12 4.9 49.5 0.7 OG B:SER17 4.9 92.2 1.0

Copper binding site 2 out of 2 in the Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pt(II)-Mediated Copper-Dependent Interactions Between ATOX1 and MNK1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu104 b:22.7 occ:0.28 SG A:CYS12 2.2 8.4 0.3 N B:CYS15 2.3 68.5 0.3 N B:CYS15 2.3 68.8 0.7 SG B:CYS15 2.6 56.6 0.3 CB B:CYS15 2.6 58.8 0.3 CB B:CYS15 2.7 62.7 0.7 CA B:CYS15 2.7 61.7 0.7 CA B:CYS15 2.7 62.8 0.3 OG1 B:THR14 2.8 81.8 1.0 SG B:CYS18 2.8 38.8 1.0 SG A:CYS12 2.9 62.0 0.7 CB A:CYS12 3.1 47.5 0.7 C B:CYS15 3.1 63.5 0.7 C B:CYS15 3.2 64.6 0.3 CU A:CU102 3.2 39.6 0.7 O B:CYS15 3.3 61.5 0.7 CB A:CYS12 3.3 18.4 0.3 O B:CYS15 3.4 63.6 0.3 C B:THR14 3.5 72.7 1.0 CB B:CYS18 3.6 50.5 1.0 N B:CYS18 3.6 64.8 1.0 PT A:PT101 3.9 93.1 0.7 N B:ASN16 3.9 67.5 1.0 SG B:CYS15 3.9 68.0 0.7 CB B:THR14 3.9 76.8 1.0 CA B:THR14 4.0 72.6 1.0 N B:THR14 4.1 61.0 1.0 N B:SER17 4.1 62.5 1.0 CA B:CYS18 4.2 59.3 1.0 CB B:SER17 4.4 85.3 1.0 C B:SER17 4.5 74.4 1.0 CA A:CYS12 4.6 49.5 0.7 O B:THR14 4.6 78.4 1.0 OG B:SER17 4.6 92.2 1.0 CA B:SER17 4.6 76.4 1.0 N A:GLY14 4.7 56.6 1.0 CA A:CYS12 4.7 35.7 0.3 CA A:GLY14 4.7 58.9 1.0 C B:ASN16 4.8 59.5 1.0 N A:CYS15 4.9 62.8 0.7 N A:CYS15 4.9 66.9 0.3 SG A:CYS15 4.9 43.7 0.7 CA B:ASN16 4.9 64.1 1.0

A.Lasorsa, M.I.Nardella, A.Rosato, V.Mirabelli, R.Caliandro, R.Caliandro, G.Natile, F.Arnesano. Mechanistic and Structural Basis For Inhibition of Copper Trafficking By Platinum Anticancer Drugs. J.Am.Chem.Soc. V. 141 12109 2019.
ISSN: ESSN 1520-5126
PubMed: 31283225
DOI: 10.1021/JACS.9B05550