Chlorine in PDB 6nv1: Structure of Drug-Resistant V27A Mutant of the Influenza M2 Proton Channel Bound to Spiroadamantyl Amine Inhibitor

The structure of Structure of Drug-Resistant V27A Mutant of the Influenza M2 Proton Channel Bound to Spiroadamantyl Amine Inhibitor, PDB code: 6nv1 was solved by J.L.Thomaston, L.Liu, W.F.Degrado, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.58 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.806, 49.950, 75.029, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 25.8

The binding sites of Chlorine atom in the Structure of Drug-Resistant V27A Mutant of the Influenza M2 Proton Channel Bound to Spiroadamantyl Amine Inhibitor (pdb code 6nv1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Drug-Resistant V27A Mutant of the Influenza M2 Proton Channel Bound to Spiroadamantyl Amine Inhibitor, PDB code: 6nv1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Drug-Resistant V27A Mutant of the Influenza M2 Proton Channel Bound to Spiroadamantyl Amine Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Drug-Resistant V27A Mutant of the Influenza M2 Proton Channel Bound to Spiroadamantyl Amine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:48.9 occ:1.00 O D:HOH203 3.9 56.0 1.0 NE1 D:TRP41 4.0 32.0 1.0 NE1 B:TRP41 4.1 37.7 1.0 NE1 C:TRP41 4.2 32.9 1.0 NE1 A:TRP41 4.2 39.3 1.0 CD1 A:TRP41 4.4 31.6 1.0 CD1 D:TRP41 4.4 33.7 1.0 CD1 B:TRP41 4.5 34.8 1.0 CD1 C:TRP41 4.6 31.3 1.0 CZ B:ARG45 4.6 46.7 1.0 NH1 B:ARG45 4.8 52.9 1.0 NH2 B:ARG45 4.8 45.8 1.0 NE B:ARG45 4.8 42.5 1.0 CD A:ARG45 4.9 38.5 1.0 CZ C:ARG45 5.0 51.3 1.0

Chlorine binding site 2 out of 2 in the Structure of Drug-Resistant V27A Mutant of the Influenza M2 Proton Channel Bound to Spiroadamantyl Amine Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Drug-Resistant V27A Mutant of the Influenza M2 Proton Channel Bound to Spiroadamantyl Amine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl102 b:40.7 occ:1.00 NE1 H:TRP41 3.6 39.7 1.0 O F:HOH206 3.9 66.2 1.0 NE1 G:TRP41 3.9 35.5 1.0 NE1 E:TRP41 4.0 41.8 1.0 NE1 F:TRP41 4.0 43.0 1.0 CD1 H:TRP41 4.3 37.3 1.0 CD1 E:TRP41 4.3 39.5 1.0 CD1 G:TRP41 4.4 32.7 1.0 CD1 F:TRP41 4.5 33.5 1.0 CE2 H:TRP41 4.8 38.1 1.0 CD E:ARG45 4.9 50.1 1.0 CD H:ARG45 4.9 46.1 1.0

J.L.Thomaston, A.Konstantinidi, L.Liu, G.Lambrinidis, J.Tan, M.Caffrey, J.Wang, W.F.Degrado, A.Kolocouris. X-Ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to A Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance. Biochemistry 2020.
ISSN: ISSN 0006-2960
PubMed: 31894969
DOI: 10.1021/ACS.BIOCHEM.9B00971