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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 5t7l:

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

Platinum (Pt) 2 atoms

Copper Binding Sites:

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 5t7l

Go back to Copper Binding Sites List in 5t7l
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 5t7l

Go back to Copper Binding Sites List in 5t7l
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

Reference:

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
Page generated: Sun Dec 13 11:19:40 2020

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