Calcium in PDB 4wfe: Human Traak K+ Channel in A K+ Bound Conductive Conformation

The structure of Human Traak K+ Channel in A K+ Bound Conductive Conformation, PDB code: 4wfe was solved by S.G.Brohawn, R.Mackinnon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.20 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.795, 138.522, 96.843, 90.00, 95.08, 90.00
R / Rfree (%)	19.9 / 23.4

The structure of Human Traak K+ Channel in A K+ Bound Conductive Conformation also contains other interesting chemical elements:

Potassium

(K)

6 atoms

The binding sites of Calcium atom in the Human Traak K+ Channel in A K+ Bound Conductive Conformation (pdb code 4wfe). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Human Traak K+ Channel in A K+ Bound Conductive Conformation, PDB code: 4wfe:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Human Traak K+ Channel in A K+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Traak K+ Channel in A K+ Bound Conductive Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:87.9 occ:1.00 O A:SER112 2.4 77.7 1.0 OD2 A:ASP115 2.4 0.3 1.0 OD1 A:ASP249 2.5 0.9 1.0 OG A:SER118 2.7 72.6 1.0 OD1 A:ASP115 2.8 89.6 1.0 CG A:ASP115 2.9 91.2 1.0 OD2 A:ASP249 3.0 0.3 1.0 CG A:ASP249 3.1 0.8 1.0 C A:SER112 3.5 81.7 1.0 CB A:SER118 3.8 72.4 1.0 N A:SER112 4.2 1.0 1.0 O A:SER110 4.2 0.5 1.0 CA A:SER112 4.3 91.8 1.0 CB A:ASP115 4.4 88.3 1.0 CB A:ASP249 4.5 0.4 1.0 N A:ALA113 4.5 66.7 1.0 N A:SER118 4.6 77.5 1.0 C A:HIS111 4.7 0.5 1.0 CA A:ALA113 4.7 63.3 1.0 O A:ALA248 4.8 0.4 1.0 CA A:SER118 4.8 74.4 1.0 CB A:SER112 4.8 93.9 1.0 C A:SER110 4.9 0.6 1.0

Calcium binding site 2 out of 3 in the Human Traak K+ Channel in A K+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Traak K+ Channel in A K+ Bound Conductive Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:84.5 occ:1.00 O A:HOH417 2.2 73.5 1.0 O A:GLY98 2.3 59.5 1.0 O B:HOH419 2.7 63.2 1.0 OE2 B:GLU58 2.9 71.7 1.0 OD1 A:ASP100 3.1 0.6 1.0 O A:HIS111 3.5 0.3 1.0 C A:GLY98 3.6 57.0 1.0 CG A:ASP100 3.7 97.4 1.0 CD B:GLU58 3.8 72.0 1.0 CB A:ASP100 3.9 76.3 1.0 C A:ALA99 4.0 57.9 1.0 N A:ASP100 4.1 64.0 1.0 CG B:GLU58 4.1 61.5 1.0 OE1 B:GLN62 4.2 61.0 1.0 CA A:ALA99 4.3 61.2 1.0 O A:ALA99 4.4 60.4 1.0 N A:ALA99 4.4 58.1 1.0 N A:ALA113 4.4 66.7 1.0 C A:HIS111 4.5 0.5 1.0 CA A:GLY98 4.5 54.6 1.0 CA A:ASP100 4.6 71.8 1.0 OD2 A:ASP100 4.7 0.3 1.0 CB A:ALA113 4.7 61.0 1.0 CA A:SER112 4.8 91.8 1.0 OE1 B:GLU58 4.9 73.5 1.0 O B:HOH418 4.9 69.3 1.0

Calcium binding site 3 out of 3 in the Human Traak K+ Channel in A K+ Bound Conductive Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Traak K+ Channel in A K+ Bound Conductive Conformation within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca301 b:84.1 occ:1.00 OE1 G:GLU10 2.1 0.3 1.0 O G:LYS19 2.4 55.6 1.0 CD G:GLU10 2.8 91.9 1.0 OE2 G:GLU10 2.8 95.1 1.0 C G:LYS19 3.6 56.6 1.0 N G:LYS19 4.0 58.1 1.0 CG G:GLU10 4.2 87.0 1.0 CA G:LYS19 4.3 55.7 1.0 CB G:LYS19 4.5 57.9 1.0 N G:THR20 4.7 54.8 1.0 CG G:MET18 4.7 83.7 1.0 CA G:THR20 4.9 53.9 1.0

S.G.Brohawn, E.B.Campbell, R.Mackinnon. Physical Mechanism For Gating and Mechanosensitivity of the Human Traak K+ Channel Nature 2014.
ISSN: ESSN 1476-4687