Chlorine in PDB 6us8: Influenza A M2 Proton Channel Wild Type Tm Domain Bound to S- Rimantadine

The structure of Influenza A M2 Proton Channel Wild Type Tm Domain Bound to S- Rimantadine, PDB code: 6us8 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)	60.25 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.390, 76.090, 98.630, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.4

The binding sites of Chlorine atom in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to S- Rimantadine (pdb code 6us8). 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 S- Rimantadine, PDB code: 6us8:
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 S- 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 S- Rimantadine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:38.0 occ:1.00 O C:HOH103 2.1 39.3 1.0 O B:HOH209 2.4 34.5 1.0 O D:HOH103 2.5 41.4 1.0 O D:HOH104 2.8 39.4 1.0 O A:HOH102 2.9 31.4 1.0 HE1 B:TRP41 3.0 21.2 1.0 HE1 C:TRP41 3.1 22.8 1.0 HE1 D:TRP41 3.1 16.1 1.0 HE1 A:TRP41 3.2 20.6 1.0 NE1 B:TRP41 3.8 17.7 1.0 NE1 C:TRP41 3.8 19.0 1.0 NE1 D:TRP41 3.9 13.4 1.0 HD3 B:ARG45 3.9 28.8 1.0 NE1 A:TRP41 3.9 17.2 1.0 HD1 B:TRP41 3.9 20.0 1.0 HD1 C:TRP41 4.0 18.0 1.0 HD1 A:TRP41 4.0 15.6 1.0 HD1 D:TRP41 4.1 20.9 1.0 CD1 B:TRP41 4.2 16.7 1.0 CD1 C:TRP41 4.3 15.0 1.0 CD1 A:TRP41 4.3 13.0 1.0 HE C:ARG45 4.3 39.5 1.0 CD1 D:TRP41 4.4 17.4 1.0 HD2 D:ARG45 4.5 34.5 1.0 HD2 C:ARG45 4.6 35.3 1.0 O A:HOH103 4.8 39.0 1.0 NE C:ARG45 4.8 33.0 1.0 CD B:ARG45 4.8 24.0 1.0 HH21 A:ARG45 4.8 40.5 1.0 HE A:ARG45 4.9 29.6 1.0 NE D:ARG45 4.9 27.8 1.0 HE D:ARG45 4.9 33.3 1.0 CE2 B:TRP41 5.0 15.4 1.0

Chlorine binding site 2 out of 4 in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to S- 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 S- Rimantadine within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl101 b:29.4 occ:1.00 O E:HOH210 2.4 27.1 1.0 O E:HOH209 2.4 34.5 1.0 O F:HOH103 2.5 33.8 1.0 O H:HOH204 3.1 30.0 1.0 O G:HOH103 3.1 34.1 1.0 HE1 E:TRP41 3.1 15.2 1.0 HE1 F:TRP41 3.1 15.2 1.0 HE1 G:TRP41 3.3 14.7 1.0 HE1 H:TRP41 3.3 16.4 1.0 HD3 E:ARG45 3.8 25.7 1.0 NE1 E:TRP41 3.9 12.7 1.0 NE1 F:TRP41 3.9 12.7 1.0 HD3 F:ARG45 3.9 22.0 1.0 HD1 E:TRP41 4.0 14.2 1.0 HD3 G:ARG45 4.0 21.6 1.0 NE1 G:TRP41 4.0 12.2 1.0 NE1 H:TRP41 4.1 13.6 1.0 HD1 F:TRP41 4.2 17.1 1.0 HD3 H:ARG45 4.2 20.4 1.0 HD1 H:TRP41 4.2 15.7 1.0 HD1 G:TRP41 4.2 14.5 1.0 CD1 E:TRP41 4.3 11.8 1.0 CD1 F:TRP41 4.4 14.3 1.0 CD1 G:TRP41 4.5 12.1 1.0 CD1 H:TRP41 4.5 13.1 1.0 CD E:ARG45 4.8 21.4 1.0 CD F:ARG45 4.9 18.3 1.0 CD G:ARG45 4.9 18.0 1.0

Chlorine binding site 3 out of 4 in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to S- 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 S- Rimantadine within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl101 b:40.4 occ:1.00 O J:HOH203 2.2 44.4 1.0 O I:HOH105 2.5 45.1 1.0 O K:HOH206 2.5 41.2 1.0 O K:HOH202 2.8 37.9 1.0 O J:HOH201 2.9 34.2 1.0 HE1 J:TRP41 3.1 24.0 1.0 HE1 I:TRP41 3.2 25.9 1.0 HE1 L:TRP41 3.2 21.0 1.0 HE1 K:TRP41 3.3 23.5 1.0 HH12 K:ARG45 3.8 58.6 1.0 NE1 I:TRP41 3.9 21.6 1.0 NE1 J:TRP41 3.9 20.0 1.0 NE1 L:TRP41 3.9 17.5 1.0 HD3 I:ARG45 4.0 37.9 1.0 HD1 I:TRP41 4.0 22.9 1.0 NE1 K:TRP41 4.0 19.6 1.0 NH1 K:ARG45 4.0 48.8 1.0 HH11 K:ARG45 4.1 58.6 1.0 HD1 L:TRP41 4.1 17.8 1.0 HD1 J:TRP41 4.2 21.3 1.0 HD1 K:TRP41 4.2 23.8 1.0 HD2 L:ARG45 4.3 42.2 1.0 CD1 I:TRP41 4.3 19.0 1.0 CD1 L:TRP41 4.4 14.8 1.0 CD1 J:TRP41 4.5 17.8 1.0 CD1 K:TRP41 4.5 19.8 1.0 HE J:ARG45 4.7 41.9 1.0 HD2 J:ARG45 4.7 39.7 1.0 CZ K:ARG45 4.8 51.4 1.0 CD I:ARG45 4.9 31.5 1.0 NE J:ARG45 4.9 34.9 1.0 HE L:ARG45 4.9 41.5 1.0 HD2 I:ARG45 4.9 37.9 1.0 HH22 K:ARG45 5.0 68.2 1.0

Chlorine binding site 4 out of 4 in the Influenza A M2 Proton Channel Wild Type Tm Domain Bound to S- 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 S- Rimantadine within 5.0Å range: probe atom residue distance (Å) B Occ M:Cl101 b:41.6 occ:1.00 O O:HOH202 2.3 30.2 1.0 O M:HOH208 2.4 36.2 1.0 O N:HOH206 2.5 29.0 1.0 O P:HOH103 2.7 29.2 1.0 HE1 M:TRP41 3.1 18.1 1.0 O N:HOH204 3.1 34.1 1.0 HE1 P:TRP41 3.3 19.7 1.0 HE1 N:TRP41 3.3 22.5 1.0 HE1 O:TRP41 3.4 17.4 1.0 HD3 M:ARG45 3.8 23.2 1.0 NE1 M:TRP41 3.8 15.1 1.0 NE1 P:TRP41 4.0 16.4 1.0 HD1 M:TRP41 4.1 17.3 1.0 NE1 N:TRP41 4.1 18.8 1.0 HD3 P:ARG45 4.1 32.0 1.0 HD1 P:TRP41 4.1 16.8 1.0 HD3 N:ARG45 4.1 32.4 1.0 NE1 O:TRP41 4.2 14.5 1.0 HD1 N:TRP41 4.3 20.3 1.0 HD1 O:TRP41 4.4 21.7 1.0 CD1 M:TRP41 4.4 14.4 1.0 CD1 P:TRP41 4.5 14.0 1.0 CD1 N:TRP41 4.6 16.9 1.0 CD1 O:TRP41 4.7 18.1 1.0 CD M:ARG45 4.8 19.3 1.0 HD2 O:ARG45 4.9 41.6 1.0 HE O:ARG45 4.9 32.5 1.0 CD P:ARG45 5.0 26.7 1.0 NE O:ARG45 5.0 27.1 1.0

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