Magnesium in PDB 3n4q: Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked

The structure of Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked, PDB code: 3n4q was solved by M.Nadal, P.J.Mas, A.G.Blanco, C.Arnan, M.Sola, D.J.Hart, M.Coll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.05 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.700, 88.100, 190.700, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 28.3

The structure of Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked also contains other interesting chemical elements:

Manganese

(Mn)

8 atoms

The binding sites of Magnesium atom in the Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked (pdb code 3n4q). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked, PDB code: 3n4q:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg675 b:29.3 occ:1.00 O B:ASN447 2.2 0.6 1.0 OD2 A:ASP439 2.2 94.4 1.0 OE1 A:GLU618 2.5 0.2 1.0 CG A:ASP439 3.1 84.6 1.0 C B:ASN447 3.2 98.9 1.0 OD1 A:ASP439 3.4 83.6 1.0 CD A:GLU618 3.4 0.3 1.0 OE2 A:GLU618 3.5 0.1 1.0 OD1 B:ASN447 3.8 0.8 1.0 CA B:THR448 3.9 99.4 1.0 N B:THR448 4.0 96.9 1.0 CA B:ASN447 4.3 95.1 1.0 CB B:ASN447 4.4 94.0 1.0 CB A:ASP439 4.5 79.9 1.0 CG B:ASN447 4.6 97.5 1.0 CB B:THR448 4.6 98.1 1.0 CG A:GLU618 4.9 99.9 1.0 OG1 B:THR448 4.9 0.2 1.0

Magnesium binding site 2 out of 4 in the Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2 b:40.2 occ:1.00 O A:ASN447 2.2 0.7 1.0 OD2 B:ASP439 2.6 71.7 1.0 CD B:GLU618 3.0 79.0 1.0 CG B:GLU618 3.2 72.7 1.0 C A:ASN447 3.3 0.2 1.0 OE2 B:GLU618 3.3 82.2 1.0 OE1 B:GLU618 3.3 78.7 1.0 CG B:ASP439 3.8 69.5 1.0 N A:THR448 4.0 0.7 1.0 CA A:THR448 4.1 0.3 1.0 CA A:ASN447 4.3 0.1 1.0 OD1 B:ASP439 4.4 68.9 1.0 CB A:ASN447 4.4 0.6 1.0 CB B:GLU618 4.8 68.9 1.0 C A:THR448 4.8 0.4 1.0 N A:ASN449 4.8 0.1 1.0 ND2 A:ASN449 4.9 0.1 1.0 CB B:ASP439 5.0 68.1 1.0

Magnesium binding site 3 out of 4 in the Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg4 b:65.5 occ:1.00 O D:ASN447 2.5 0.9 1.0 OD2 C:ASP439 2.8 83.0 1.0 CG C:GLU618 3.3 78.3 1.0 CD C:GLU618 3.6 85.2 1.0 CG C:ASP439 3.7 80.8 1.0 C D:ASN447 3.7 0.1 1.0 OD1 C:ASP439 3.8 81.0 1.0 OE2 C:GLU618 3.8 89.4 1.0 CB C:GLU618 4.1 72.3 1.0 OE1 C:GLU618 4.1 85.8 1.0 OD1 D:ASN449 4.4 0.7 1.0 CA D:ASN447 4.6 0.4 1.0 CB D:ASN447 4.6 0.4 1.0 N D:THR448 4.6 0.0 1.0 CA C:GLU618 4.7 69.7 1.0 CA D:THR448 4.7 0.7 1.0

Magnesium binding site 4 out of 4 in the Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Human Cytomegalovirus Terminase Nuclease Domain, Mn Soaked within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg3 b:39.0 occ:1.00 OE1 D:GLU618 2.2 1.0 1.0 OD2 D:ASP439 2.2 0.8 1.0 O C:ASN447 2.9 0.1 1.0 CD D:GLU618 3.1 0.4 1.0 CG D:ASP439 3.2 0.2 1.0 C C:ASN447 3.3 0.0 1.0 CG D:GLU618 3.3 0.7 1.0 OD1 D:ASP439 3.5 0.5 1.0 CG2 C:THR448 3.5 1.0 1.0 N C:THR448 3.7 0.8 1.0 CA C:THR448 3.9 0.7 1.0 CB C:ASN447 4.0 0.0 1.0 CA C:ASN447 4.1 0.8 1.0 OE2 D:GLU618 4.2 0.9 1.0 CB C:THR448 4.4 0.4 1.0 CB D:ASP439 4.5 0.7 1.0 CB D:GLU618 4.9 0.1 1.0

M.Nadal, P.J.Mas, A.G.Blanco, C.Arnan, M.Sola, D.J.Hart, M.Coll. Structure and Inhibition of Herpesvirus Dna Packaging Terminase Nuclease Domain. Proc.Natl.Acad.Sci.Usa V. 107 16078 2010.
ISSN: ISSN 0027-8424
PubMed: 20805464
DOI: 10.1073/PNAS.1007144107