Calcium in PDB 4wfh: Human Traak K+ Channel in A Tl+ Bound Nonconductive Conformation

The structure of Human Traak K+ Channel in A Tl+ Bound Nonconductive Conformation, PDB code: 4wfh 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)	96.44 / 3.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.972, 138.755, 96.759, 90.00, 94.64, 90.00
R / Rfree (%)	20.3 / 23.9

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

Thallium

(Tl)

7 atoms

The binding sites of Calcium atom in the Human Traak K+ Channel in A Tl+ Bound Nonconductive Conformation (pdb code 4wfh). 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 Tl+ Bound Nonconductive Conformation, PDB code: 4wfh:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 Tl+ Bound Nonconductive Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:0.0 occ:1.00 OD2 A:ASP115 2.2 0.7 1.0 O A:SER112 2.4 0.6 1.0 OD1 A:ASP249 2.5 0.7 1.0 OG A:SER118 2.8 0.7 1.0 CG A:ASP115 2.9 0.4 1.0 OD1 A:ASP115 2.9 0.6 1.0 OD2 A:ASP249 3.0 0.8 1.0 CG A:ASP249 3.1 0.3 1.0 C A:SER112 3.5 0.4 1.0 N A:SER112 3.9 0.1 1.0 CB A:SER118 4.0 0.2 1.0 CA A:SER112 4.2 0.6 1.0 O A:SER110 4.3 0.2 1.0 CB A:ASP115 4.3 0.9 1.0 N A:ALA113 4.5 0.5 1.0 C A:HIS111 4.5 0.9 1.0 CB A:ASP249 4.5 0.2 1.0 CB A:SER112 4.7 0.8 1.0 CA A:ALA113 4.8 94.8 1.0 N A:SER118 4.8 0.0 1.0 C A:SER110 4.9 0.3 1.0 O A:ALA248 4.9 0.9 1.0 CA A:HIS111 5.0 0.8 1.0 CA A:SER118 5.0 0.1 1.0

Calcium binding site 2 out of 3 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 Tl+ Bound Nonconductive Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:0.7 occ:1.00 O A:GLY98 2.5 84.8 1.0 O A:HOH417 2.6 94.3 1.0 OE2 B:GLU58 2.8 92.7 1.0 O B:HOH414 2.9 75.0 1.0 OD2 A:ASP100 2.9 0.3 1.0 O A:HIS111 3.2 0.2 1.0 CG A:ASP100 3.6 0.3 1.0 CD B:GLU58 3.6 89.3 1.0 C A:GLY98 3.7 82.8 1.0 CG B:GLU58 4.0 81.6 1.0 N A:ASP100 4.1 0.3 1.0 CB A:ASP100 4.2 0.2 1.0 N A:ALA113 4.2 0.5 1.0 C A:ALA99 4.2 92.0 1.0 C A:HIS111 4.3 0.9 1.0 OE1 B:GLN62 4.3 88.0 1.0 CA A:ALA99 4.4 87.3 1.0 OD1 A:ASP100 4.4 0.7 1.0 CA A:SER112 4.5 0.6 1.0 N A:ALA99 4.5 83.5 1.0 CB A:ALA113 4.5 94.7 1.0 OE1 B:GLU58 4.6 97.4 1.0 CA A:GLY98 4.7 82.3 1.0 O A:ALA99 4.7 92.3 1.0 CA A:ASP100 4.7 0.3 1.0 C A:SER112 4.8 0.4 1.0 N A:SER112 4.9 0.1 1.0

Calcium binding site 3 out of 3 in the Human Traak K+ Channel in A Tl+ Bound Nonconductive 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 Tl+ Bound Nonconductive Conformation within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca301 b:0.8 occ:1.00 OE1 G:GLU10 2.3 0.7 1.0 CD G:GLU10 2.7 0.3 1.0 OE2 G:GLU10 2.7 0.2 1.0 O G:HOH407 2.7 97.6 1.0 O G:LYS19 3.0 87.4 1.0 CG G:GLU10 4.0 1.0 1.0 C G:LYS19 4.2 78.3 1.0 N G:LYS19 4.7 86.8 1.0 O G:HOH404 4.8 87.4 1.0 CA G:LYS19 5.0 78.7 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