Bromine in PDB 8dde: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 4-(Benzyloxy)-6-Bromo-2-(1H-Tetrazol-5-Yl) Yridine-3-Ol

The structure of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 4-(Benzyloxy)-6-Bromo-2-(1H-Tetrazol-5-Yl) Yridine-3-Ol, PDB code: 8dde was solved by A.J.Kohlbrand, R.W.Stokes, J.Karges, H.Seo, B.Sankaran, S.M.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.81 / 2.22
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.979, 75.979, 121.005, 90, 90, 120
R / Rfree (%)	18.8 / 24.4

The structure of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 4-(Benzyloxy)-6-Bromo-2-(1H-Tetrazol-5-Yl) Yridine-3-Ol also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Bromine atom in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 4-(Benzyloxy)-6-Bromo-2-(1H-Tetrazol-5-Yl) Yridine-3-Ol (pdb code 8dde). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 4-(Benzyloxy)-6-Bromo-2-(1H-Tetrazol-5-Yl) Yridine-3-Ol, PDB code: 8dde:

Bromine binding site 1 out of 1 in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 4-(Benzyloxy)-6-Bromo-2-(1H-Tetrazol-5-Yl) Yridine-3-Ol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 4-(Benzyloxy)-6-Bromo-2-(1H-Tetrazol-5-Yl) Yridine-3-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:154.8 occ:1.00 BR11 A:R7C201 0.0 154.8 1.0 C10 A:R7C201 1.9 91.2 1.0 N09 A:R7C201 2.9 69.2 1.0 H091 A:R7C201 3.0 83.0 1.0 C12 A:R7C201 3.1 67.0 1.0 H121 A:R7C201 3.2 80.5 1.0 O A:GLY197 3.4 105.5 1.0 O A:HOH350 3.6 74.2 1.0 O A:HOH324 3.6 84.0 1.0 C A:GLY197 4.0 104.7 1.0 O A:GLU198 4.1 100.4 1.0 O A:HOH334 4.2 71.2 1.0 C03 A:R7C201 4.3 62.4 1.0 C13 A:R7C201 4.4 63.4 1.0 O A:HOH322 4.5 73.4 1.0 CA A:GLY197 4.5 105.0 1.0 N A:GLU198 4.8 88.9 1.0 C02 A:R7C201 4.9 55.4 1.0 O A:HOH345 5.0 70.2 1.0

R.W.Stokes, A.J.Kohlbrand, H.Seo, B.Sankaran, J.Karges, S.M.Cohen. Carboxylic Acid Isostere Derivatives of Hydroxypyridinones As Core Scaffolds For Influenza Endonuclease Inhibitors Acs Med.Chem.Lett. 2022.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.2C00434