Chlorine in PDB 5c02: Influenza A M2 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0

The structure of Influenza A M2 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0, PDB code: 5c02 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)	17.84 / 1.59
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	28.650, 28.650, 68.380, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.7

The structure of Influenza A M2 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0 also contains other interesting chemical elements:

Strontium	(Sr)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Influenza A M2 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0 (pdb code 5c02). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Influenza A M2 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0, PDB code: 5c02:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Influenza A M2 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0


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 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:10.3 occ:0.18 HG A:SER23 2.4 14.5 1.0 OG A:SER23 3.0 12.1 1.0 HG11 A:VAL27 3.1 16.1 1.0 HB3 A:SER23 3.2 12.7 1.0 CB A:SER23 3.6 10.6 1.0 HA A:SER23 3.8 15.5 1.0 CG1 A:VAL27 4.1 13.4 1.0 HG12 A:VAL27 4.2 16.1 1.0 CA A:SER23 4.3 12.9 1.0 HG21 A:VAL27 4.4 17.0 1.0 HB2 A:SER23 4.5 12.7 1.0 H A:ASP24 4.6 15.7 1.0 HB A:VAL27 4.6 16.6 1.0 HG13 A:VAL27 4.6 16.1 1.0 CB A:VAL27 4.9 13.9 1.0 O A:SER22 4.9 13.1 1.0

Chlorine binding site 2 out of 2 in the Influenza A M2 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0


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 Transmembrane Domain Drug-Resistant S31N Mutant at pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:21.2 occ:0.17 O A:HOH220 2.4 36.6 1.0 O A:HOH221 2.7 48.2 0.2 O A:HOH216 4.6 21.9 0.4 O A:HOH216 4.6 32.5 0.6 O A:HOH218 4.6 52.3 1.0

J.L.Thomaston, W.F.Degrado. Crystal Structure of the Drug-Resistant S31N Influenza M2 Proton Channel. Protein Sci. V. 25 1551 2016.
ISSN: ESSN 1469-896X
PubMed: 27082171
DOI: 10.1002/PRO.2937