Copper in PDB 5mze: Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp

All present enzymatic activity of Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp:
3.6.1.55; 3.6.1.56;

The structure of Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp, PDB code: 5mze was solved by M.Narwal, A.-S.Jemth, T.Helleday, P.Stenmark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.29 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.532, 139.245, 58.718, 90.00, 107.53, 90.00
R / Rfree (%)	20.1 / 23.9

The binding sites of Copper atom in the Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp (pdb code 5mze). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp, PDB code: 5mze:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:21.4 occ:1.00 NE2 A:HIS65 2.1 21.1 1.0 OD2 A:ASP89 2.7 28.7 1.0 CE1 A:HIS65 3.0 21.6 1.0 CB A:ASP89 3.0 23.7 1.0 CD2 A:HIS65 3.2 19.5 1.0 CG A:ASP89 3.3 26.0 1.0 ND1 A:HIS65 4.1 21.3 1.0 CG A:HIS65 4.3 20.2 1.0 O A:HOH329 4.4 25.2 1.0 OD1 A:ASP89 4.5 32.0 1.0 CA A:ASP89 4.6 20.8 1.0 O A:HOH372 4.7 46.3 1.0 C A:ASP89 5.0 18.8 1.0

Copper binding site 2 out of 4 in the Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:37.1 occ:1.00 NE2 A:HIS92 2.0 20.3 1.0 CE1 A:HIS90 2.3 21.5 1.0 NE2 A:HIS90 2.9 20.9 1.0 CD2 A:HIS92 2.9 20.0 1.0 CE1 A:HIS92 3.1 20.1 1.0 ND1 A:HIS90 3.4 21.7 1.0 CG A:HIS92 4.1 19.9 1.0 ND1 A:HIS92 4.1 20.8 1.0 CD2 A:HIS90 4.2 21.3 1.0 CG A:HIS90 4.4 20.7 1.0 OD2 A:ASP62 4.8 26.9 1.0

Copper binding site 3 out of 4 in the Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:21.1 occ:1.00 NE2 B:HIS65 2.1 21.4 1.0 OD2 B:ASP89 2.6 28.9 1.0 CE1 B:HIS65 3.0 22.6 1.0 CB B:ASP89 3.1 23.6 1.0 CD2 B:HIS65 3.2 20.5 1.0 CG B:ASP89 3.3 25.7 1.0 ND1 B:HIS65 4.2 22.5 1.0 O B:HOH331 4.3 23.6 1.0 CG B:HIS65 4.3 20.9 1.0 OD1 B:ASP89 4.5 31.3 1.0 CA B:ASP89 4.6 20.5 1.0 C B:ASP89 5.0 18.6 1.0

Copper binding site 4 out of 4 in the Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Mouse MTH1 with 8-Oxo-Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:38.8 occ:1.00 OD2 C:ASP89 2.2 23.1 1.0 OD1 C:ASP89 2.6 21.0 1.0 CG C:ASP89 2.7 20.9 1.0 CB C:ASP89 4.2 19.2 1.0 NE2 C:HIS65 5.0 26.6 1.0

M.Narwal, A.S.Jemth, R.Gustafsson, I.Almlof, U.Warpman Berglund, T.Helleday, P.Stenmark. Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry V. 57 593 2018.
ISSN: ISSN 1520-4995
PubMed: 29281266
DOI: 10.1021/ACS.BIOCHEM.7B01163