Magnesium in PDB 4k4x: Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna

All present enzymatic activity of Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna:
2.7.7.48;

The structure of Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna, PDB code: 4k4x was solved by P.Gong, O.B.Peersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.01 / 2.37
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	61.001, 61.013, 195.137, 90.02, 89.98, 78.36
R / Rfree (%)	20.4 / 24.1

The binding sites of Magnesium atom in the Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna (pdb code 4k4x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna, PDB code: 4k4x:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:47.0 occ:1.00 O A:HOH756 2.0 39.4 1.0 O A:HOH757 2.0 48.3 1.0 OD1 A:ASP330 2.3 37.1 1.0 O A:HOH730 2.3 41.6 1.0 O A:HOH616 2.4 45.3 1.0 O A:HOH759 2.9 52.0 1.0 CG A:ASP330 3.4 32.9 1.0 OD1 A:ASP233 3.5 49.9 1.0 OD2 A:ASP330 3.9 35.1 1.0 O A:HOH607 3.9 32.1 1.0 O A:THR373 4.2 30.0 1.0 OG1 A:THR373 4.4 43.1 1.0 O A:PHE232 4.5 39.1 1.0 O A:VAL331 4.5 27.6 1.0 N A:VAL331 4.6 27.4 1.0 CB A:ASP330 4.6 29.8 1.0 O A:HOH758 4.7 42.4 1.0 CA A:ASP330 4.7 29.6 1.0 CG A:ASP233 4.7 50.7 1.0 O A:HOH760 4.7 42.0 1.0 OD1 A:ASP359 4.8 55.3 1.0 C A:THR373 4.9 36.7 1.0

Magnesium binding site 2 out of 4 in the Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg502 b:48.5 occ:1.00 O E:HOH615 2.0 42.2 1.0 O E:HOH704 2.1 48.8 1.0 OD1 E:ASP330 2.1 41.1 1.0 O E:HOH621 2.4 46.5 1.0 O E:HOH719 2.4 50.6 1.0 O E:HOH703 2.5 52.8 1.0 CG E:ASP330 3.2 35.2 1.0 OD2 E:ASP330 3.8 38.2 1.0 OD1 E:ASP233 3.8 44.0 1.0 O E:HOH611 4.0 31.5 1.0 O E:THR373 4.2 33.8 1.0 N E:VAL331 4.3 29.0 1.0 CB E:ASP330 4.4 32.0 1.0 O E:VAL331 4.4 35.3 1.0 CA E:ASP330 4.4 32.6 1.0 OG1 E:THR373 4.4 45.2 1.0 O G:HOH810 4.5 43.4 1.0 O E:PHE232 4.5 43.3 1.0 C E:THR373 4.9 38.6 1.0 C E:ASP330 4.9 35.5 1.0 CG E:ASP233 5.0 51.9 1.0 CA E:PHE374 5.0 31.6 1.0

Magnesium binding site 3 out of 4 in the Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg502 b:42.7 occ:1.00 OD1 I:ASP330 1.9 42.2 1.0 O I:HOH733 2.1 40.7 1.0 O I:HOH732 2.2 46.7 1.0 O I:HOH752 2.2 57.8 1.0 O I:HOH631 2.4 43.1 1.0 O I:HOH751 2.5 50.3 1.0 O I:HOH684 2.8 48.2 1.0 CG I:ASP330 3.1 34.6 1.0 OD2 I:ASP330 3.6 34.3 1.0 O I:HOH607 3.9 31.7 1.0 OD1 I:ASP233 4.1 49.3 1.0 N I:VAL331 4.1 28.3 1.0 CB I:ASP330 4.2 30.7 1.0 CA I:ASP330 4.2 29.7 1.0 O I:VAL331 4.3 35.2 1.0 O I:THR373 4.4 34.2 1.0 O I:PHE232 4.4 39.3 1.0 O K:HOH811 4.6 45.1 1.0 C I:ASP330 4.6 35.3 1.0 OG1 I:THR373 4.7 46.6 1.0 CA I:PHE374 5.0 31.8 1.0

Magnesium binding site 4 out of 4 in the Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Coxsackievirus B3 Polymerase Elongation Complex (R2_FORM), Rna within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg501 b:51.7 occ:1.00 O M:HOH751 2.0 40.9 1.0 OD1 M:ASP330 2.0 36.4 1.0 O M:HOH732 2.3 50.1 1.0 O M:HOH634 2.4 45.7 1.0 O M:HOH745 2.5 51.0 1.0 O M:HOH697 2.8 49.9 1.0 CG M:ASP330 3.1 30.6 1.0 OD2 M:ASP330 3.6 34.2 1.0 O M:HOH736 3.7 51.7 1.0 O M:HOH613 3.8 31.2 1.0 OD1 M:ASP233 3.8 47.8 1.0 CB M:ASP330 4.3 29.7 1.0 N M:VAL331 4.3 30.4 1.0 CA M:ASP330 4.3 28.0 1.0 O M:THR373 4.4 34.2 1.0 O M:VAL331 4.5 34.2 1.0 O M:PHE232 4.6 40.0 1.0 OG1 M:THR373 4.6 45.9 1.0 O M:HOH752 4.8 47.3 1.0 C M:ASP330 4.8 34.7 1.0 CG M:ASP233 5.0 52.3 1.0

P.Gong, M.G.Kortus, J.C.Nix, R.E.Davis, O.B.Peersen. Structures of Coxsackievirus, Rhinovirus, and Poliovirus Polymerase Elongation Complexes Solved By Engineering Rna Mediated Crystal Contacts. Plos One V. 8 60272 2013.
ISSN: ESSN 1932-6203
PubMed: 23667424
DOI: 10.1371/JOURNAL.PONE.0060272