Magnesium in PDB 3nai: Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase

The structure of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase, PDB code: 3nai was solved by K.H.Kim, J.H.Lee, I.Alam, Y.Park, S.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.53 / 2.56
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.246, 196.562, 109.598, 90.00, 114.81, 90.00
R / Rfree (%)	20.3 / 26.8

The structure of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Manganese	(Mn)	6 atoms

The binding sites of Magnesium atom in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase (pdb code 3nai). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase, PDB code: 3nai:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:26.8 occ:1.00 O A:HOH559 2.2 31.9 1.0 OD2 A:ASP245 2.5 32.5 1.0 OD2 A:ASP346 2.6 25.1 1.0 O A:HOH529 2.7 29.6 1.0 O2 A:URF521 2.8 70.3 1.0 OD1 A:ASP245 2.9 33.7 1.0 O A:HOH657 2.9 8.1 1.0 CG A:ASP245 3.0 30.6 1.0 N3 A:URF521 3.0 70.7 1.0 C2 A:URF521 3.1 70.7 1.0 O A:TYR246 3.5 23.9 1.0 CG A:ASP346 3.8 23.9 1.0 N A:TYR246 3.9 24.8 1.0 C4 A:URF521 4.0 71.6 1.0 N1 A:URF521 4.1 71.1 1.0 O A:HOH610 4.1 18.4 1.0 CB A:ASP245 4.3 28.1 1.0 C A:TYR246 4.4 23.2 1.0 O A:HOH602 4.4 24.4 1.0 O4 A:URF521 4.5 72.2 1.0 OD1 A:ASP346 4.5 27.1 1.0 CA A:ASP245 4.6 27.5 1.0 CB A:ASP346 4.7 22.1 1.0 O A:HOH646 4.7 14.0 1.0 CA A:TYR246 4.7 23.4 1.0 C A:ASP245 4.8 26.2 1.0 C5 A:URF521 4.9 71.7 1.0 C6 A:URF521 4.9 71.6 1.0

Magnesium binding site 2 out of 3 in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2 b:33.1 occ:1.00 OD2 B:ASP346 2.2 28.1 1.0 N3 B:URF521 2.3 57.0 0.8 OD1 B:ASP245 2.4 35.2 1.0 O B:HOH581 2.5 22.9 1.0 O2 B:URF521 2.7 56.0 0.8 C2 B:URF521 2.8 56.6 0.8 O B:TYR246 3.1 25.1 1.0 C4 B:URF521 3.3 57.2 0.8 CG B:ASP346 3.4 27.1 1.0 CG B:ASP245 3.5 33.2 1.0 O4 B:URF521 3.7 56.3 0.8 OD2 B:ASP245 3.9 35.8 1.0 N1 B:URF521 4.0 56.5 0.8 OD1 B:ASP346 4.1 27.3 1.0 N B:TYR246 4.1 27.7 1.0 C B:TYR246 4.2 25.1 1.0 CB B:ASP346 4.4 26.3 1.0 C5 B:URF521 4.4 57.8 0.8 O B:HOH561 4.6 12.8 1.0 C6 B:URF521 4.7 57.5 0.8 CA B:TYR246 4.7 25.9 1.0 CB B:ASP245 4.8 30.8 1.0 C B:ASP245 4.9 29.3 1.0 O B:ASP346 4.9 25.9 1.0

Magnesium binding site 3 out of 3 in the Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structures and Functional Analysis of Murine Norovirus Rna- Dependent Rna Polymerase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg3 b:48.0 occ:1.00 N3 C:URF521 2.4 71.5 1.0 O C:HOH563 2.5 27.1 1.0 O C:HOH632 2.6 30.3 1.0 OD2 C:ASP245 2.9 34.4 1.0 OD1 C:ASP346 3.0 30.6 1.0 C4 C:URF521 3.1 72.1 1.0 C2 C:URF521 3.2 71.8 1.0 O4 C:URF521 3.2 72.0 1.0 O2 C:URF521 3.3 71.1 1.0 OD1 C:ASP245 3.3 36.0 1.0 CG C:ASP245 3.5 33.8 1.0 O C:TYR246 3.6 27.0 1.0 CG C:ASP346 4.0 27.6 1.0 N1 C:URF521 4.3 72.7 1.0 OD2 C:ASP346 4.3 28.2 1.0 C5 C:URF521 4.4 72.5 1.0 C C:TYR246 4.7 26.4 1.0 O C:HOH630 4.7 22.0 1.0 C6 C:URF521 4.8 72.6 1.0 N C:TYR246 4.9 28.5 1.0 CB C:ASP245 5.0 31.7 1.0

K.H.Kim, J.H.Lee, I.Alam, Y.Park, S.Kang. Crystal Structures and Functional Analysis of Murine Norovirus Rna-Dependent Rna Polymerase To Be Published.