Bromine in PDB 5t6n: Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol

The structure of Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol, PDB code: 5t6n was solved by R.U.Kadam, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.22 / 2.54
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	105.943, 151.808, 349.508, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22

The binding sites of Bromine atom in the Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol (pdb code 5t6n). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol, PDB code: 5t6n:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:0.7 occ:1.00 BR5 B:75U201 0.0 0.7 1.0 C3 B:75U201 1.9 69.0 1.0 C4 B:75U201 2.8 66.9 1.0 C2 B:75U201 2.9 53.2 1.0 OE1 B:GLU97 3.1 24.9 1.0 O35 B:75U201 3.1 49.6 1.0 O B:HOH325 3.2 38.5 1.0 NE2 A:GLN311 3.4 20.1 1.0 CD B:GLU97 3.5 32.2 1.0 CG A:GLN311 3.6 11.5 1.0 CD A:GLN311 3.8 16.6 1.0 OE2 B:GLU97 4.0 36.2 1.0 C9 B:75U201 4.1 62.3 1.0 C1 B:75U201 4.2 54.4 1.0 CG B:GLU97 4.2 26.1 1.0 O F:HOH317 4.5 48.0 1.0 CB B:GLU97 4.5 16.4 1.0 C10 B:75U201 4.7 59.3 1.0 OE1 A:GLN311 4.8 23.5 1.0 CD F:LYS58 4.9 84.9 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol within 5.0Å range: probe atom residue distance (Å) B Occ D:Br201 b:0.2 occ:1.00 BR5 D:75U201 0.0 0.2 1.0 C3 D:75U201 1.9 46.7 1.0 C4 D:75U201 2.8 50.1 1.0 C2 D:75U201 2.9 36.9 1.0 O35 D:75U201 3.0 42.0 1.0 OE1 D:GLU97 3.3 27.3 1.0 CG C:GLN311 3.4 15.1 1.0 NE2 C:GLN311 3.4 15.9 1.0 CD D:GLU97 3.6 24.4 1.0 CD C:GLN311 3.7 18.3 1.0 C9 D:75U201 4.1 45.4 1.0 OE2 D:GLU97 4.1 25.2 1.0 C1 D:75U201 4.2 35.1 1.0 CG D:GLU97 4.2 25.2 1.0 CB D:GLU97 4.5 18.8 1.0 C10 D:75U201 4.7 40.3 1.0 OE1 C:GLN311 4.7 21.7 1.0 CB C:GLN311 4.8 18.4 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the A/Hong Kong/1/1968 (H3N2) Influenza Virus Hemagglutinin in Complex with the Antiviral Drug Arbidol within 5.0Å range: probe atom residue distance (Å) B Occ D:Br202 b:0.8 occ:1.00 BR5 D:75U202 0.0 0.8 1.0 C3 D:75U202 1.9 65.7 1.0 C2 D:75U202 2.9 43.7 1.0 C4 D:75U202 2.9 55.4 1.0 O35 D:75U202 3.0 47.7 1.0 OE1 F:GLU97 3.2 34.9 1.0 NE2 E:GLN311 3.3 13.6 1.0 CG E:GLN311 3.4 14.3 1.0 CD F:GLU97 3.7 29.8 1.0 CD E:GLN311 3.7 18.3 1.0 O E:HOH547 3.9 25.2 1.0 NZ D:LYS58 4.0 80.9 1.0 CD D:LYS58 4.1 53.7 1.0 C9 D:75U202 4.1 53.1 1.0 OE2 F:GLU97 4.2 33.5 1.0 C1 D:75U202 4.2 40.0 1.0 CG F:GLU97 4.4 21.1 1.0 OE1 E:GLN311 4.7 21.8 1.0 CB F:GLU97 4.7 17.1 1.0 CE D:LYS58 4.7 56.2 1.0 C10 D:75U202 4.7 49.1 1.0 CB E:GLN311 4.9 17.1 1.0

R.U.Kadam, I.A.Wilson. Structural Basis of Influenza Virus Fusion Inhibition By the Antiviral Drug Arbidol. Proc. Natl. Acad. Sci. V. 114 206 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28003465
DOI: 10.1073/PNAS.1617020114