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

Protein crystallography data

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

Bromine Binding Sites:

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 5t6n

Go back to Bromine Binding Sites List in 5t6n
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 5t6n

Go back to Bromine Binding Sites List in 5t6n
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 5t6n

Go back to Bromine Binding Sites List in 5t6n
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

Reference:

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
Page generated: Sat Dec 12 02:30:34 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy