Magnesium in PDB 7arw: Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium

All present enzymatic activity of Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium:
3.2.1.143;

The structure of Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium, PDB code: 7arw was solved by J.G.M.Rack, V.Zorzini, I.Ahel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.01 / 1.31
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.746, 66.112, 70.055, 115.8, 94.98, 104.07
R / Rfree (%)	16.6 / 18.2

The binding sites of Magnesium atom in the Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium (pdb code 7arw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium, PDB code: 7arw:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:22.8 occ:1.00 OD2 A:ASP316 2.0 33.2 0.5 O A:HOH541 2.0 29.4 1.0 OD1 A:ASP78 2.1 19.4 1.0 OD1 A:ASP77 2.3 21.9 1.0 OG1 A:THR76 2.5 16.6 1.0 O2D A:8NA403 2.8 22.9 1.0 CG A:ASP316 3.1 22.9 0.5 CG A:ASP78 3.3 18.2 1.0 MG A:MG402 3.4 24.7 1.0 CB A:THR76 3.4 14.4 1.0 CG A:ASP77 3.4 20.0 1.0 OD1 A:ASP316 3.7 26.4 0.5 C6N A:8NA403 3.9 41.3 1.0 N A:ASP78 3.9 14.6 1.0 OD2 A:ASP77 4.0 20.1 1.0 OD1 A:ASP316 4.0 29.6 0.5 N A:ASP77 4.1 16.2 1.0 OD2 A:ASP78 4.1 15.2 1.0 CB A:ASP316 4.1 18.9 0.5 C5N A:8NA403 4.1 51.2 1.0 C2D A:8NA403 4.2 27.1 1.0 CG2 A:THR76 4.2 19.4 1.0 OG1 A:THR317 4.2 18.9 1.0 CB A:ASP316 4.3 21.0 0.5 OD1 A:ASP34 4.3 18.0 1.0 CB A:ASP78 4.3 15.7 1.0 O A:GLY115 4.4 24.7 1.0 O3D A:8NA403 4.5 23.7 1.0 CG A:ASP316 4.6 21.2 0.5 N1N A:8NA403 4.6 30.5 1.0 CB A:ASP77 4.6 18.5 1.0 C A:THR76 4.6 15.3 1.0 CA A:THR76 4.6 16.1 1.0 CA A:ASP77 4.7 17.5 1.0 O A:HOH761 4.7 50.6 1.0 CA A:ASP78 4.7 15.0 1.0 C A:ASP77 4.8 17.7 1.0 C3D A:8NA403 4.9 20.3 1.0 C1D A:8NA403 5.0 26.4 1.0

Magnesium binding site 2 out of 4 in the Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:24.7 occ:1.00 OD1 A:ASP316 2.0 26.4 0.5 OD1 A:ASP314 2.2 22.8 1.0 O3D A:8NA403 2.3 23.7 1.0 OG1 A:THR317 2.4 18.9 1.0 CG A:ASP316 2.8 22.9 0.5 OD2 A:ASP316 3.0 33.2 0.5 O2D A:8NA403 3.0 22.9 1.0 CG A:ASP314 3.1 22.4 1.0 OD2 A:ASP314 3.3 20.9 1.0 MG A:MG401 3.4 22.8 1.0 C2N A:8NA403 3.4 30.3 1.0 CB A:THR317 3.5 17.0 1.0 C3D A:8NA403 3.5 20.3 1.0 N1N A:8NA403 3.5 30.5 1.0 C3N A:8NA403 3.6 43.6 1.0 N A:THR317 3.6 15.4 1.0 O A:HOH548 3.7 33.9 1.0 C2D A:8NA403 3.7 27.1 1.0 C6N A:8NA403 3.8 41.3 1.0 C4N A:8NA403 3.9 51.9 1.0 CB A:ASP316 3.9 18.9 0.5 C5N A:8NA403 3.9 51.2 1.0 OD1 A:ASP78 4.0 19.4 1.0 CA A:THR317 4.1 14.8 1.0 C1D A:8NA403 4.2 26.4 1.0 CB A:ASP316 4.2 21.0 0.5 C7N A:8NA403 4.3 54.6 1.0 O A:HOH541 4.3 29.4 1.0 C A:ASP316 4.4 15.5 1.0 OD2 A:ASP78 4.4 15.2 1.0 CG A:ASP316 4.5 21.2 0.5 OD1 A:ASP316 4.5 29.6 0.5 CB A:ASP314 4.5 20.5 1.0 C4D A:8NA403 4.5 23.0 1.0 CA A:ASP316 4.5 17.8 0.5 CA A:ASP316 4.6 17.5 0.5 N A:ASP316 4.6 17.8 1.0 CG A:ASP78 4.7 18.2 1.0 CG2 A:THR317 4.7 17.7 1.0 O4D A:8NA403 4.8 27.9 1.0 O A:ASP314 4.8 20.4 1.0 O7N A:8NA403 4.8 62.7 1.0 N7N A:8NA403 4.8 53.3 1.0 C A:ASP314 4.9 20.4 1.0 CA A:ASP314 4.9 20.5 1.0

Magnesium binding site 3 out of 4 in the Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:22.1 occ:1.00 OD2 B:ASP316 2.0 43.6 1.0 OD1 B:ASP78 2.1 18.6 1.0 O B:HOH625 2.1 29.1 1.0 OD1 B:ASP77 2.2 19.2 1.0 OG1 B:THR76 2.6 17.6 1.0 O2D B:8NA403 2.7 23.7 1.0 CG B:ASP316 3.1 32.9 1.0 CG B:ASP78 3.4 15.8 1.0 CG B:ASP77 3.4 16.4 1.0 MG B:MG402 3.5 21.9 1.0 CB B:THR76 3.5 15.5 1.0 OD1 B:ASP316 3.7 31.4 1.0 N B:ASP78 4.0 12.9 1.0 C6N B:8NA403 4.0 45.9 1.0 N B:ASP77 4.0 13.7 1.0 OD2 B:ASP77 4.0 17.1 1.0 OD2 B:ASP78 4.1 14.1 1.0 C2D B:8NA403 4.1 24.7 1.0 OG1 B:THR317 4.2 16.6 1.0 CB B:ASP316 4.2 21.7 1.0 C5N B:8NA403 4.3 49.8 1.0 CG2 B:THR76 4.3 20.6 1.0 OD1 B:ASP34 4.3 18.4 1.0 O B:HOH613 4.4 56.7 1.0 O B:GLY115 4.4 19.7 1.0 CB B:ASP78 4.4 15.6 1.0 O3D B:8NA403 4.5 20.1 1.0 N1N B:8NA403 4.5 30.9 1.0 O B:HOH815 4.5 36.0 1.0 CB B:ASP77 4.6 15.7 1.0 O B:ARG114 4.6 25.4 1.0 C B:THR76 4.6 13.8 1.0 CA B:ASP77 4.6 13.8 1.0 CA B:THR76 4.7 15.4 1.0 CA B:ASP78 4.8 13.0 1.0 C B:ASP77 4.8 13.1 1.0 C1D B:8NA403 4.9 25.6 1.0 C3D B:8NA403 4.9 19.0 1.0

Magnesium binding site 4 out of 4 in the Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Human ARH3 E41A Bound to Alpha-Nad+ and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:21.9 occ:1.00 OD1 B:ASP314 2.0 21.2 1.0 O3D B:8NA403 2.2 20.1 1.0 OD1 B:ASP316 2.2 31.4 1.0 OG1 B:THR317 2.5 16.6 1.0 CG B:ASP314 2.9 18.9 1.0 O2D B:8NA403 3.0 23.7 1.0 OD2 B:ASP314 3.1 19.5 1.0 CG B:ASP316 3.1 32.9 1.0 C2N B:8NA403 3.1 33.8 1.0 OD2 B:ASP316 3.3 43.6 1.0 N1N B:8NA403 3.3 30.9 1.0 C3N B:8NA403 3.4 41.0 1.0 C3D B:8NA403 3.4 19.0 1.0 MG B:MG401 3.5 22.1 1.0 CB B:THR317 3.5 13.7 1.0 C2D B:8NA403 3.7 24.7 1.0 C6N B:8NA403 3.8 45.9 1.0 N B:THR317 3.8 14.3 1.0 C4N B:8NA403 3.9 44.2 1.0 O B:HOH564 3.9 42.4 1.0 C7N B:8NA403 4.0 46.4 1.0 C1D B:8NA403 4.0 25.6 1.0 C5N B:8NA403 4.0 49.8 1.0 OD1 B:ASP78 4.1 18.6 1.0 CA B:THR317 4.3 14.8 1.0 C4D B:8NA403 4.3 19.8 1.0 CB B:ASP314 4.3 18.0 1.0 CB B:ASP316 4.5 21.7 1.0 N7N B:8NA403 4.5 50.7 1.0 OD2 B:ASP78 4.5 14.1 1.0 O B:HOH625 4.5 29.1 1.0 O4D B:8NA403 4.5 23.2 1.0 O7N B:8NA403 4.6 51.1 1.0 C B:ASP316 4.6 15.2 1.0 CG2 B:THR317 4.7 16.2 1.0 CA B:ASP314 4.8 16.1 1.0 N B:ASP316 4.8 16.1 1.0 CG B:ASP78 4.8 15.8 1.0 O B:ASP314 4.8 17.3 1.0 CA B:ASP316 4.8 16.4 1.0 C B:ASP314 4.8 16.0 1.0

J.G.M.Rack, Q.Liu, V.Zorzini, J.Voorneveld, A.Ariza, K.H.Ebrahimi, J.Mccullagh, D.V.Filippov, I.Ahel. Mechanistic Insights Into the Three Steps of Poly(Adp-Ribosylation) Reversal Nat Commun 2021.
ISSN: ESSN 2041-1723