Chlorine in PDB 6us9: Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine

The structure of Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine, PDB code: 6us9 was solved by J.L.Thomaston, W.F.Degrado, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.18 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.181, 48.701, 71.671, 90.00, 90.01, 90.00
R / Rfree (%)	23.2 / 27.5

The binding sites of Chlorine atom in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine (pdb code 6us9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine, PDB code: 6us9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:49.6 occ:1.00 NH2 C:ARG45 3.3 61.2 1.0 NE1 C:TRP41 3.4 30.2 1.0 NE1 D:TRP41 3.5 20.7 1.0 NE1 B:TRP41 3.7 25.2 1.0 CD1 D:TRP41 3.8 23.1 1.0 NE1 A:TRP41 3.9 19.8 1.0 CD1 C:TRP41 4.0 28.9 1.0 CD1 B:TRP41 4.0 23.6 1.0 CD1 A:TRP41 4.1 20.6 1.0 O C:HOH201 4.1 31.0 1.0 CZ C:ARG45 4.5 60.9 1.0 CE2 C:TRP41 4.6 26.8 1.0 CE2 D:TRP41 4.8 24.6 1.0 NH1 C:ARG45 5.0 66.5 1.0

Chlorine binding site 2 out of 4 in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl101 b:48.0 occ:1.00 NE1 F:TRP41 3.5 21.7 1.0 NE1 E:TRP41 3.5 26.1 1.0 O G:HOH103 3.8 24.5 1.0 CD1 F:TRP41 3.8 19.1 1.0 NE1 H:TRP41 3.9 26.0 1.0 O H:HOH103 3.9 27.4 1.0 NH1 E:ARG45 3.9 52.0 1.0 NE1 G:TRP41 4.0 21.3 1.0 NH2 E:ARG45 4.0 43.5 1.0 CD1 E:TRP41 4.0 27.1 1.0 CD1 G:TRP41 4.1 20.1 1.0 CD1 H:TRP41 4.1 22.9 1.0 CZ E:ARG45 4.4 45.0 1.0 CE2 E:TRP41 4.7 28.5 1.0 CE2 F:TRP41 4.8 21.8 1.0

Chlorine binding site 3 out of 4 in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl101 b:40.4 occ:1.00 NE1 K:TRP41 3.5 24.2 1.0 NH2 J:ARG45 3.6 37.9 1.0 NH2 K:ARG45 3.6 49.8 1.0 NE1 J:TRP41 3.8 24.2 1.0 CD1 K:TRP41 3.8 23.7 1.0 NH1 J:ARG45 3.9 38.2 1.0 NE1 L:TRP41 4.1 18.2 1.0 CZ J:ARG45 4.2 33.1 1.0 NE1 I:TRP41 4.2 18.8 1.0 CD1 L:TRP41 4.3 20.5 1.0 CD1 J:TRP41 4.4 23.5 1.0 CD1 I:TRP41 4.4 20.9 1.0 O K:HOH101 4.6 35.2 1.0 CZ K:ARG45 4.7 51.4 1.0 CE2 K:TRP41 4.8 23.7 1.0 NE K:ARG45 4.9 54.9 1.0 CE2 J:TRP41 4.9 23.1 1.0

Chlorine binding site 4 out of 4 in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Influenza A M2 Proton Channel Wild Type Tm Domain Bound to R- Rimantadine within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl101 b:42.5 occ:1.00 NE1 M:TRP41 3.6 26.6 1.0 NH2 P:ARG45 3.6 40.2 1.0 NE1 P:TRP41 3.7 28.5 1.0 CD1 M:TRP41 3.9 23.6 1.0 NH1 M:ARG45 3.9 50.6 1.0 NE1 N:TRP41 4.0 18.4 1.0 NH1 P:ARG45 4.0 42.8 1.0 NE1 O:TRP41 4.0 23.6 1.0 CD1 O:TRP41 4.2 25.4 1.0 CD1 N:TRP41 4.2 20.4 1.0 CZ P:ARG45 4.2 34.9 1.0 CD1 P:TRP41 4.2 24.9 1.0 O M:HOH103 4.2 28.9 1.0 CE2 M:TRP41 4.8 23.3 1.0 CZ M:ARG45 5.0 58.4 1.0 CE2 P:TRP41 5.0 29.5 1.0

J.L.Thomaston, W.F.Degrado. Tm Domain To Be Published.