Bromine in PDB 7v04: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 6-Bromo-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxamide

The structure of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 6-Bromo-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxamide, PDB code: 7v04 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)	65.32 / 1.91
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.421, 75.421, 119.317, 90, 90, 120
R / Rfree (%)	19.7 / 23.5

The structure of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Viral Polymerase in Complex with 6-Bromo-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxamide 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 6-Bromo-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxamide (pdb code 7v04). 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 6-Bromo-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxamide, PDB code: 7v04:

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 6-Bromo-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxamide


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 6-Bromo-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:67.5 occ:1.00 BR09 A:PQO303 0.0 67.5 1.0 C08 A:PQO303 1.9 53.0 1.0 N07 A:PQO303 2.9 42.6 1.0 H071 A:PQO303 3.0 51.1 1.0 C10 A:PQO303 3.1 40.7 1.0 H101 A:PQO303 3.2 48.9 1.0 C A:GLU198 3.5 57.1 1.0 O A:GLU198 3.6 56.5 1.0 O A:GLY197 3.7 57.3 1.0 O A:HOH449 3.8 62.8 1.0 C A:GLY197 3.8 54.7 1.0 OH A:TYR24 4.0 94.3 1.0 N A:GLU198 4.1 53.2 1.0 CA A:GLU198 4.2 51.1 1.0 C03 A:PQO303 4.3 41.8 1.0 O A:HOH415 4.3 48.4 1.0 C11 A:PQO303 4.5 36.3 1.0 CA A:GLY197 4.5 47.9 1.0 H052 A:PQO303 4.5 57.9 1.0 O A:HOH470 4.5 46.4 1.0 C02 A:PQO303 4.9 32.9 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