Magnesium in PDB 6brg: The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation

The structure of The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation, PDB code: 6brg was solved by O.Buzovetsky, C.Tang, K.M.Knecht, J.M.Antonucci, L.Wu, X.Ji, Y.Xiong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	164.582, 109.919, 162.089, 90.00, 105.78, 90.00
R / Rfree (%)	24.4 / 27.8

The binding sites of Magnesium atom in the The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation (pdb code 6brg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation, PDB code: 6brg:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg800 b:21.5 occ:1.00 OD1 A:ASP343 2.0 45.6 1.0 NE2 A:HIS238 2.1 64.5 1.0 OD2 A:ASP239 2.4 50.5 1.0 NE2 A:HIS199 2.4 36.9 1.0 OD2 A:ASP343 2.7 52.4 1.0 CG A:ASP343 2.7 50.1 1.0 CD2 A:HIS238 2.9 66.7 1.0 CE1 A:HIS238 3.2 66.3 1.0 CE1 A:HIS199 3.2 37.8 1.0 CG A:ASP239 3.2 50.4 1.0 O A:HOH911 3.4 25.2 1.0 OD1 A:ASP239 3.4 51.9 1.0 CD2 A:HIS199 3.5 36.1 1.0 NH1 A:ARG196 3.6 54.6 1.0 CG A:HIS238 4.1 66.5 1.0 CB A:ASP343 4.2 52.0 1.0 ND1 A:HIS238 4.2 69.2 1.0 CD2 A:TYR347 4.2 58.8 1.0 ND1 A:HIS199 4.4 37.5 1.0 CG A:HIS199 4.5 36.3 1.0 CB A:ASP239 4.6 48.9 1.0 CE2 A:TYR347 4.8 61.7 1.0 CA A:ASP343 4.8 52.3 1.0 CG2 A:VAL203 4.9 40.0 1.0 CZ A:ARG196 4.9 54.4 1.0 O A:ASP343 4.9 55.3 1.0

Magnesium binding site 2 out of 4 in the The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg800 b:0.3 occ:1.00 OD1 B:ASP343 2.2 58.6 1.0 NE2 B:HIS238 2.4 78.7 1.0 OD2 B:ASP239 2.4 60.5 1.0 NE2 B:HIS199 2.5 56.7 1.0 OD2 B:ASP343 2.7 79.6 1.0 CG B:ASP343 2.8 66.7 1.0 CD2 B:HIS238 3.2 79.9 1.0 CE1 B:HIS199 3.3 55.1 1.0 CG B:ASP239 3.3 62.2 1.0 NH1 B:ARG196 3.4 54.3 1.0 OD1 B:ASP239 3.5 67.6 1.0 CE1 B:HIS238 3.5 83.9 1.0 CD2 B:HIS199 3.5 56.4 1.0 CD2 B:TYR347 4.1 63.1 1.0 O B:HOH909 4.1 0.1 1.0 CB B:ASP343 4.3 64.1 1.0 CG B:HIS238 4.4 80.0 1.0 ND1 B:HIS199 4.5 53.5 1.0 ND1 B:HIS238 4.5 83.7 1.0 CG B:HIS199 4.6 53.7 1.0 CE2 B:TYR347 4.7 65.9 1.0 CZ B:ARG196 4.7 51.7 1.0 CB B:ASP239 4.7 60.8 1.0 CA B:ASP343 5.0 61.9 1.0 O B:ASP343 5.0 64.9 1.0

Magnesium binding site 3 out of 4 in the The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg800 b:34.6 occ:1.00 OD1 C:ASP343 2.2 63.5 1.0 NE2 C:HIS238 2.4 84.3 1.0 OD2 C:ASP239 2.5 62.6 1.0 NE2 C:HIS199 2.5 49.6 1.0 OD2 C:ASP343 2.7 73.4 1.0 CG C:ASP343 2.8 68.8 1.0 O C:HOH906 3.1 30.6 1.0 CD2 C:HIS238 3.2 83.6 1.0 CG C:ASP239 3.3 64.3 1.0 CE1 C:HIS199 3.4 51.0 1.0 OD1 C:ASP239 3.5 65.8 1.0 NH1 C:ARG196 3.5 51.7 1.0 CE1 C:HIS238 3.5 85.8 1.0 CD2 C:HIS199 3.6 49.4 1.0 CD2 C:TYR347 4.1 67.2 1.0 CB C:ASP343 4.3 69.0 1.0 CG C:HIS238 4.4 82.4 1.0 ND1 C:HIS199 4.5 50.1 1.0 ND1 C:HIS238 4.6 85.0 1.0 CE2 C:TYR347 4.7 70.9 1.0 CG C:HIS199 4.7 49.4 1.0 CB C:ASP239 4.7 63.4 1.0 CZ C:ARG196 4.8 49.9 1.0 CA C:ASP343 4.9 68.5 1.0 O C:ASP343 5.0 69.6 1.0

Magnesium binding site 4 out of 4 in the The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg800 b:0.9 occ:1.00 OD1 D:ASP343 2.1 61.6 1.0 NE2 D:HIS238 2.2 63.0 1.0 NE2 D:HIS199 2.3 43.9 1.0 OD2 D:ASP239 2.4 51.6 1.0 OD2 D:ASP343 2.7 79.1 1.0 CG D:ASP343 2.7 68.2 1.0 CD2 D:HIS238 3.1 69.5 1.0 CE1 D:HIS199 3.2 44.4 1.0 CE1 D:HIS238 3.2 70.1 1.0 O D:HOH904 3.3 0.6 1.0 CG D:ASP239 3.3 53.5 1.0 CD2 D:HIS199 3.4 44.9 1.0 OD1 D:ASP239 3.5 59.8 1.0 NH1 D:ARG196 3.6 48.3 1.0 CD2 D:TYR347 4.2 52.4 1.0 CB D:ASP343 4.2 62.5 1.0 CG D:HIS238 4.3 70.4 1.0 ND1 D:HIS238 4.3 73.8 1.0 ND1 D:HIS199 4.3 44.4 1.0 CG D:HIS199 4.5 44.0 1.0 CB D:ASP239 4.7 52.1 1.0 CE2 D:TYR347 4.7 54.1 1.0 CA D:ASP343 4.9 54.8 1.0 O D:ASP343 4.9 53.7 1.0 CG2 D:VAL203 4.9 38.4 1.0 CZ D:ARG196 4.9 44.7 1.0

O.Buzovetsky, C.Tang, K.M.Knecht, J.M.Antonucci, L.Wu, X.Ji, Y.Xiong. The Sam Domain of Mouse SAMHD1 Is Critical For Its Activation and Regulation. Nat Commun V. 9 411 2018.
ISSN: ESSN 2041-1723
PubMed: 29379009
DOI: 10.1038/S41467-017-02783-8