Calcium in PDB 6mjh: The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States

The structure of The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States, PDB code: 6mjh 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)	35.24 / 2.06
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.290, 36.150, 76.450, 90.00, 103.60, 90.00
R / Rfree (%)	21.7 / 24.9

The structure of The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States (pdb code 6mjh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States, PDB code: 6mjh:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:50.6 occ:1.00 OD1 A:ASP44 2.2 29.0 1.0 O A:ASP44 2.9 22.6 1.0 NH2 B:ARG45 3.3 29.3 1.0 CG A:ASP44 3.5 29.0 1.0 C A:ASP44 3.8 26.8 1.0 CA A:ASP44 4.0 20.9 1.0 CB A:ASP44 4.3 24.7 1.0 OD2 A:ASP44 4.4 32.0 1.0 CZ B:ARG45 4.5 34.1 1.0 NE B:ARG45 5.0 31.0 1.0

Calcium binding site 2 out of 4 in the The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:45.7 occ:1.00 OD1 B:ASP44 2.4 26.3 1.0 O B:ASP44 2.5 27.5 1.0 O B:HOH206 2.6 41.0 1.0 O B:HOH205 2.9 31.9 1.0 C B:ASP44 3.4 28.7 1.0 CG B:ASP44 3.6 28.2 1.0 CA B:ASP44 3.7 21.7 1.0 NH1 C:ARG45 3.8 35.5 1.0 CB B:ASP44 4.3 25.6 1.0 N B:NH247 4.5 43.2 1.0 OD2 B:ASP44 4.6 30.2 1.0 O B:HOH207 4.6 40.3 1.0 N B:ARG45 4.7 25.8 1.0 O B:LEU43 4.8 22.7 1.0 CZ C:ARG45 4.9 38.7 1.0

Calcium binding site 3 out of 4 in the The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:48.1 occ:1.00 N H:NH247 2.4 43.1 1.0 OD1 D:ASP44 2.7 37.8 1.0 O D:ASP44 2.7 27.1 1.0 O D:HOH205 2.8 44.7 1.0 O D:HOH204 3.2 34.2 1.0 C H:LEU46 3.3 40.3 1.0 NH2 A:ARG45 3.4 35.9 1.0 CG D:ASP44 3.4 33.1 1.0 C D:ASP44 3.6 26.9 1.0 O H:LEU46 3.7 37.3 1.0 CA D:ASP44 3.8 22.5 1.0 OD2 D:ASP44 4.1 30.5 1.0 CB D:ASP44 4.2 25.9 1.0 CA H:LEU46 4.2 39.6 1.0 CB H:LEU46 4.4 33.3 1.0 CZ A:ARG45 4.6 38.4 1.0 N D:NH247 4.8 54.4 1.0 N D:ARG45 4.9 25.9 1.0 O D:LEU43 5.0 23.5 1.0

Calcium binding site 4 out of 4 in the The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The S31N Mutant of the Influenza A M2 Proton Channel in Two Distinct Conformational States within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca101 b:18.9 occ:1.00 O H:SER22 2.4 18.2 1.0 O E:SER22 2.5 16.1 1.0 O G:SER22 2.5 17.8 1.0 O F:SER22 2.6 20.6 1.0 O E:HOH201 2.7 16.7 1.0 O H:HOH102 2.7 16.6 1.0 O G:HOH201 2.8 20.1 1.0 O F:HOH101 2.9 20.8 1.0 C E:SER22 3.6 19.3 1.0 C H:SER22 3.6 17.6 1.0 C G:SER22 3.6 21.1 1.0 C F:SER22 3.7 20.8 1.0 N E:SER22 4.3 18.7 1.0 N H:SER22 4.3 19.6 1.0 N G:SER22 4.4 24.6 1.0 OG G:SER22 4.4 19.7 1.0 OG E:SER22 4.4 22.2 1.0 N F:SER22 4.4 22.3 1.0 N E:SER23 4.4 20.9 1.0 N H:SER23 4.5 21.6 1.0 N G:SER23 4.5 20.4 1.0 CA E:SER22 4.5 22.2 1.0 OG F:SER22 4.5 21.2 1.0 OG H:SER22 4.5 18.5 1.0 CA H:SER23 4.5 20.6 1.0 CA G:SER23 4.5 20.6 1.0 CA E:SER23 4.5 20.9 1.0 CA G:SER22 4.5 22.9 1.0 CA H:SER22 4.5 19.0 1.0 N F:SER23 4.6 20.5 1.0 CA F:SER23 4.6 20.4 1.0 CA F:SER22 4.6 24.6 1.0

J.L.Thomaston, Y.Wu, N.Polizzi, L.Liu, J.Wang, W.F.Degrado. X-Ray Crystal Structure of the Influenza A M2 Proton Channel S31N Mutant in Two Conformational States: An Open and Shut Case. J.Am.Chem.Soc. V. 141 11481 2019.
ISSN: ESSN 1520-5126
PubMed: 31184871
DOI: 10.1021/JACS.9B02196