Manganese in PDB 8t67: Influenza Pa-N Endonuclease I38T Mutant (Amino Acids 52-74 Truncation)

The structure of Influenza Pa-N Endonuclease I38T Mutant (Amino Acids 52-74 Truncation), PDB code: 8t67 was solved by A.J.Kohlbrand, S.M.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.60 / 2.08
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.589, 74.589, 119.534, 90, 90, 120
R / Rfree (%)	20.6 / 24.8

The binding sites of Manganese atom in the Influenza Pa-N Endonuclease I38T Mutant (Amino Acids 52-74 Truncation) (pdb code 8t67). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Influenza Pa-N Endonuclease I38T Mutant (Amino Acids 52-74 Truncation), PDB code: 8t67:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Influenza Pa-N Endonuclease I38T Mutant (Amino Acids 52-74 Truncation)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Influenza Pa-N Endonuclease I38T Mutant (Amino Acids 52-74 Truncation) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:46.6 occ:1.00 O A:HOH430 2.1 48.6 1.0 O A:ILE120 2.1 40.3 1.0 OD2 A:ASP108 2.2 44.7 1.0 OE2 A:GLU119 2.2 44.0 1.0 NE2 A:HIS41 2.3 40.2 1.0 O A:HOH440 2.4 53.3 1.0 CG A:ASP108 3.1 41.7 1.0 CE1 A:HIS41 3.1 48.1 1.0 CD A:GLU119 3.2 59.6 1.0 C A:ILE120 3.2 40.1 1.0 CD2 A:HIS41 3.3 49.7 1.0 OD1 A:ASP108 3.4 44.6 1.0 N A:ILE120 3.6 49.1 1.0 O A:HOH448 3.7 75.0 1.0 OE1 A:GLU119 3.8 47.8 1.0 CA A:ILE120 3.9 42.6 1.0 O A:HOH401 4.0 52.6 1.0 MN A:MN302 4.0 83.7 1.0 NZ A:LYS134 4.0 56.4 1.0 CB A:ILE120 4.2 45.6 1.0 ND1 A:HIS41 4.2 42.9 1.0 N A:GLY121 4.3 41.7 1.0 CG A:HIS41 4.4 50.5 1.0 CG A:GLU119 4.4 49.2 1.0 CB A:ASP108 4.5 45.4 1.0 CE A:LYS134 4.5 48.4 1.0 C A:GLU119 4.6 51.4 1.0 O A:HOH413 4.6 45.6 1.0 CA A:GLY121 4.7 35.1 1.0 CA A:GLU119 5.0 43.3 1.0

Manganese binding site 2 out of 2 in the Influenza Pa-N Endonuclease I38T Mutant (Amino Acids 52-74 Truncation)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Influenza Pa-N Endonuclease I38T Mutant (Amino Acids 52-74 Truncation) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:83.7 occ:1.00 O A:HOH444 2.2 57.9 1.0 OE1 A:GLU80 2.3 59.0 1.0 O A:HOH430 2.4 48.6 1.0 OD1 A:ASP108 2.5 44.6 1.0 O A:HOH401 2.5 52.6 1.0 O A:HOH415 2.6 44.3 1.0 CD A:GLU80 3.4 54.5 1.0 CG A:ASP108 3.5 41.7 1.0 O A:HOH448 3.7 75.0 1.0 O A:HOH402 3.9 69.3 1.0 CE1 A:HIS41 4.0 48.1 1.0 MN A:MN301 4.0 46.6 1.0 OD2 A:ASP108 4.0 44.7 1.0 O A:LEU106 4.1 47.5 1.0 OE2 A:GLU80 4.2 79.6 1.0 CG A:GLU80 4.4 62.9 1.0 O A:PRO107 4.4 42.9 1.0 OE1 A:GLU119 4.4 47.8 1.0 NE2 A:HIS41 4.6 40.2 1.0 CB A:GLU80 4.6 51.0 1.0 C A:PRO107 4.6 51.2 1.0 OE2 A:GLU119 4.7 44.0 1.0 CB A:ASP108 4.7 45.4 1.0 CA A:ASP108 4.8 45.9 1.0 N A:ASP108 4.9 41.3 1.0 ND1 A:HIS41 4.9 42.9 1.0

A.J.Kohlbrand, R.W.Stokes, B.Sankaran, S.M.Cohen. Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants. Biochemistry V. 63 264 2024.
ISSN: ISSN 0006-2960
PubMed: 38190441
DOI: 10.1021/ACS.BIOCHEM.3C00536