Magnesium in PDB 5fml: Crystal Structure of the Endonuclease From the Pa Subunit of Influenza B Virus Bound to the PB2 Subunit Nls Peptide

The structure of Crystal Structure of the Endonuclease From the Pa Subunit of Influenza B Virus Bound to the PB2 Subunit Nls Peptide, PDB code: 5fml was solved by D.Guilligay, S.Gaudon, S.Cusack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.42 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.380, 80.850, 37.910, 90.00, 97.15, 90.00
R / Rfree (%)	22.435 / 27.556

The binding sites of Magnesium atom in the Crystal Structure of the Endonuclease From the Pa Subunit of Influenza B Virus Bound to the PB2 Subunit Nls Peptide (pdb code 5fml). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Endonuclease From the Pa Subunit of Influenza B Virus Bound to the PB2 Subunit Nls Peptide, PDB code: 5fml:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Endonuclease From the Pa Subunit of Influenza B Virus Bound to the PB2 Subunit Nls Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Endonuclease From the Pa Subunit of Influenza B Virus Bound to the PB2 Subunit Nls Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1195 b:33.1 occ:1.00 OD2 B:ASP109 1.8 18.7 1.0 O B:HOH2023 2.0 28.6 1.0 O B:VAL121 2.1 21.7 1.0 NE2 B:HIS41 2.4 17.9 1.0 CG B:ASP109 2.9 19.6 1.0 CE1 B:HIS41 2.9 21.6 1.0 OE2 B:GLU120 3.0 43.1 1.0 C B:VAL121 3.1 19.3 1.0 CD B:GLU120 3.2 33.1 1.0 N B:VAL121 3.2 17.6 1.0 OD1 B:ASP109 3.3 18.8 1.0 OE1 B:GLU120 3.5 39.5 1.0 MG B:MG1196 3.5 30.0 1.0 CD2 B:HIS41 3.6 20.6 1.0 CA B:VAL121 3.6 18.7 1.0 O B:HOH2066 3.8 38.6 1.0 CG B:GLU120 3.9 26.6 1.0 C B:GLU120 4.1 19.0 1.0 CB B:VAL121 4.1 18.9 1.0 O B:HOH2059 4.1 51.6 1.0 CB B:ASP109 4.1 15.2 1.0 ND1 B:HIS41 4.2 20.5 1.0 N B:GLY122 4.3 19.1 1.0 CA B:GLU120 4.4 19.3 1.0 CG B:HIS41 4.5 19.4 1.0 CB B:GLU120 4.7 22.7 1.0 CA B:GLY122 4.8 20.5 1.0 CG1 B:VAL121 4.9 20.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Endonuclease From the Pa Subunit of Influenza B Virus Bound to the PB2 Subunit Nls Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Endonuclease From the Pa Subunit of Influenza B Virus Bound to the PB2 Subunit Nls Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1196 b:30.0 occ:1.00 O B:HOH2023 2.1 28.6 1.0 OD1 B:ASP109 2.2 18.8 1.0 O B:HOH2048 2.2 36.4 1.0 O B:HOH2059 2.4 51.6 1.0 OE1 B:GLU81 2.7 21.8 0.6 O B:HOH2046 3.0 34.9 1.0 CG B:ASP109 3.1 19.6 1.0 CE1 B:HIS41 3.5 21.6 1.0 OD2 B:ASP109 3.5 18.7 1.0 MG B:MG1195 3.5 33.1 1.0 OE1 B:GLU81 3.7 18.7 0.4 CD B:GLU81 3.9 20.6 0.6 O B:HOH2045 3.9 44.1 1.0 NE2 B:HIS41 4.1 17.9 1.0 CD B:GLU81 4.2 16.1 0.4 O B:HOH2047 4.3 26.1 1.0 ND1 B:HIS41 4.3 20.5 1.0 OE1 B:GLU120 4.3 39.5 1.0 OE2 B:GLU81 4.4 15.9 0.4 CB B:ASP109 4.5 15.2 1.0 O B:LEU107 4.6 18.2 1.0 CG B:GLU81 4.7 19.1 0.6 OE2 B:GLU120 4.7 43.1 1.0 CA B:ASP109 4.8 14.7 1.0 CB B:GLU81 4.8 19.2 0.6 OE2 B:GLU81 4.8 20.8 0.6 O B:ALA108 4.8 16.7 1.0 N B:ASP109 4.8 15.2 1.0 CD B:GLU120 4.9 33.1 1.0 O B:HOH2092 4.9 40.5 1.0 C B:ALA108 4.9 16.9 1.0

E.Thierry, D.Guilligay, J.Kosinski, T.Bock, S.Gaudon, A.Round, A.Pflug, N.Hengrung, K.El Omari, F.Baudin, D.J.Hart, M.Beck, S.Cusack. Influenza Polymerase Can Adopt An Alternative Configuration Involving A Radical Repacking of PB2 Domains. Mol.Cell V. 61 125 2016.
ISSN: ISSN 1097-2765
PubMed: 26711008
DOI: 10.1016/J.MOLCEL.2015.11.016