Calcium in PDB 4qkl: Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions

The structure of Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions, PDB code: 4qkl 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)	20.93 / 1.71
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	29.600, 29.600, 68.140, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.8

The structure of Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions (pdb code 4qkl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions, PDB code: 4qkl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:10.1 occ:0.24 O A:SER22 2.4 11.7 1.0 O A:HOH201 2.4 14.0 1.0 H A:SER22 3.5 19.9 1.0 C A:SER22 3.5 21.9 1.0 HA A:SER23 3.8 14.3 1.0 O A:HOH219 4.1 37.5 0.2 HG A:SER22 4.2 19.7 1.0 N A:SER22 4.2 16.6 1.0 OG A:SER22 4.4 16.4 1.0 CA A:SER22 4.4 15.2 1.0 N A:SER23 4.5 12.4 1.0 CA A:SER23 4.6 11.9 1.0 HG A:SER23 4.8 17.1 1.0

Calcium binding site 2 out of 2 in the Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Influenza A M2 Wild Type Tm Domain at High pH in the Lipidic Cubic Phase Under Room Temperature Diffraction Conditions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca103 b:21.2 occ:0.68 OD2 A:ASP24 2.3 22.3 1.0 O A:HOH208 2.4 48.3 1.0 O A:HOH205 2.4 27.9 0.8 O A:HOH210 2.4 46.6 1.0 O A:HOH215 2.4 27.9 0.6 O A:HOH204 2.4 24.7 1.0 CG A:ASP24 3.4 23.8 1.0 OD1 A:ASP24 3.8 22.1 1.0 HD2 A:PRO25 4.1 23.1 1.0 CB A:ASP24 4.6 11.9 1.0 HB2 A:ASP24 4.7 14.3 1.0 HA A:ASP24 4.8 16.3 1.0 CD A:PRO25 5.0 19.2 1.0

J.L.Thomaston, M.Alfonso-Prieto, R.A.Woldeyes, J.S.Fraser, M.L.Klein, G.Fiorin, W.F.Degrado. High-Resolution Structures of the M2 Channel From Influenza A Virus Reveal Dynamic Pathways For Proton Stabilization and Transduction. Proc.Natl.Acad.Sci.Usa V. 112 14260 2015.
ISSN: ISSN 0027-8424
PubMed: 26578770
DOI: 10.1073/PNAS.1518493112