Manganese in PDB 5we7: Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782

The structure of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782, PDB code: 5we7 was solved by G.Kumar, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.38 / 2.12
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.923, 60.923, 95.361, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 21.5

The structure of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782 (pdb code 5we7). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782, PDB code: 5we7:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:34.9 occ:1.00 O1 A:G3K303 2.1 33.8 1.0 O A:ILE120 2.2 35.2 1.0 OE2 A:GLU119 2.2 38.0 1.0 OD1 A:ASP108 2.3 45.7 1.0 O2 A:G3K303 2.3 36.8 1.0 NE2 A:HIS41 2.3 34.7 1.0 C1 A:G3K303 2.9 47.1 1.0 C2 A:G3K303 3.0 45.5 1.0 CE1 A:HIS41 3.1 37.5 1.0 CG A:ASP108 3.1 40.6 1.0 CD A:GLU119 3.2 40.7 1.0 OD2 A:ASP108 3.3 41.8 1.0 C A:ILE120 3.3 33.5 1.0 CD2 A:HIS41 3.4 35.0 1.0 MN A:MN302 3.7 39.5 1.0 OE1 A:GLU119 3.7 37.8 1.0 N A:ILE120 3.7 35.2 1.0 CA A:ILE120 4.0 30.9 1.0 O A:HOH409 4.0 35.6 1.0 N3 A:G3K303 4.2 53.1 1.0 ND1 A:HIS41 4.2 38.5 1.0 CB A:ILE120 4.3 34.2 1.0 O A:HOH412 4.3 36.1 1.0 CG A:GLU119 4.4 36.7 1.0 C3 A:G3K303 4.4 49.9 1.0 N A:GLY121 4.4 33.0 1.0 CG A:HIS41 4.4 35.9 1.0 CB A:ASP108 4.4 36.3 1.0 NZ A:LYS134 4.7 58.8 1.0 C A:GLU119 4.7 38.5 1.0 CA A:GLY121 4.7 33.6 1.0 OE2 A:GLU80 4.8 34.9 1.0 O4 A:G3K303 4.9 37.1 1.0 CE A:LYS134 5.0 60.6 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:39.5 occ:1.00 O2 A:G3K303 2.1 36.8 1.0 O4 A:G3K303 2.1 37.1 1.0 OD2 A:ASP108 2.2 41.8 1.0 O A:HOH408 2.2 29.5 1.0 OE2 A:GLU80 2.3 34.9 1.0 O A:HOH409 2.3 35.6 1.0 CG A:ASP108 3.0 40.6 1.0 C2 A:G3K303 3.2 45.5 1.0 C4 A:G3K303 3.2 42.8 1.0 OD1 A:ASP108 3.3 45.7 1.0 CD A:GLU80 3.3 38.7 1.0 C3 A:G3K303 3.6 49.9 1.0 MN A:MN301 3.7 34.9 1.0 CE1 A:HIS41 3.9 37.5 1.0 O A:PRO107 4.1 36.1 1.0 CG A:GLU80 4.1 39.9 1.0 O A:HOH426 4.1 44.9 1.0 OE1 A:GLU80 4.2 40.5 1.0 O A:HOH415 4.2 52.0 1.0 CB A:ASP108 4.2 36.3 1.0 O3 A:G3K303 4.3 53.3 1.0 O A:LEU106 4.3 36.6 1.0 CB A:GLU80 4.3 33.1 1.0 C1 A:G3K303 4.4 47.1 1.0 OE1 A:GLU119 4.4 37.8 1.0 C A:PRO107 4.4 37.7 1.0 CA A:ASP108 4.4 35.8 1.0 NE2 A:HIS41 4.5 34.7 1.0 N A:ASP108 4.5 29.4 1.0 OE2 A:GLU119 4.6 38.0 1.0 O1 A:G3K303 4.7 33.8 1.0 NH1 A:ARG84 4.8 69.9 1.0 ND1 A:HIS41 4.9 38.5 1.0 CA A:GLU80 4.9 33.1 1.0 CD A:GLU119 4.9 40.7 1.0 N1 A:G3K303 5.0 51.1 1.0

G.Kumar, S.W.White. Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-29782 To Be Published.