Calcium in PDB 6gux: Dark-Adapted Structure of Archaerhodopsin-3 at 100K

The structure of Dark-Adapted Structure of Archaerhodopsin-3 at 100K, PDB code: 6gux was solved by I.Moraes, P.J.Judge, J.F.Bada Juarez, J.Vinals, D.Axford, A.Watts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.29 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.701, 47.525, 104.421, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 17.2

The structure of Dark-Adapted Structure of Archaerhodopsin-3 at 100K also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the Dark-Adapted Structure of Archaerhodopsin-3 at 100K (pdb code 6gux). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Dark-Adapted Structure of Archaerhodopsin-3 at 100K, PDB code: 6gux:

Calcium binding site 1 out of 1 in the Dark-Adapted Structure of Archaerhodopsin-3 at 100K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Dark-Adapted Structure of Archaerhodopsin-3 at 100K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca713 b:11.4 occ:1.00 O A:LEU240 2.3 11.9 1.0 OD2 A:ASP48 2.4 12.2 1.0 O A:HOH586 2.4 15.3 1.0 OD1 A:ASP46 2.4 13.5 1.0 O A:HOH589 2.5 12.2 1.0 OD2 A:ASP46 2.7 13.6 1.0 CG A:ASP46 2.9 12.8 1.0 HB2 A:ASP48 3.4 12.2 1.0 C A:LEU240 3.5 10.2 1.0 CG A:ASP48 3.5 12.1 0.8 H A:ASP48 3.5 12.9 1.0 HA A:LEU240 3.8 10.0 1.0 CB A:ASP48 3.9 12.1 1.0 HB3 A:LEU240 4.0 11.8 1.0 CA A:LEU240 4.2 10.0 1.0 O A:HOH594 4.2 22.6 1.0 HA A:ASP242 4.4 14.3 1.0 N A:ASP48 4.4 12.8 1.0 CB A:ASP46 4.4 13.8 1.0 C A:GLY241 4.4 13.6 1.0 N A:GLY241 4.5 11.8 1.0 H A:LYS47 4.5 14.6 1.0 HA2 A:GLY241 4.5 13.1 1.0 OD1 A:ASP48 4.6 13.1 0.9 O A:GLY241 4.6 13.0 1.0 H A:ALA49 4.6 10.7 1.0 CB A:LEU240 4.7 12.2 1.0 HB3 A:ASP48 4.7 12.2 1.0 N A:ASP242 4.7 14.0 1.0 CA A:GLY241 4.7 13.4 1.0 HB2 A:ASP46 4.8 13.8 1.0 CA A:ASP48 4.8 11.6 1.0 HD21 A:LEU240 4.8 14.2 1.0 O A:HOH629 4.9 20.5 1.0 HB3 A:ASP46 4.9 13.7 1.0 N A:LYS47 4.9 14.8 1.0 H A:ASP242 5.0 13.8 1.0

J.F.Bada Juarez, P.J.Judge, J.Vinals, D.Axford, J.Birch, P.Aller, A.Butryn, R.L.Owen, D.A.Sherrell, J.H.Beale, A.M.Orville, A.Watts, I.Moraes. Structure of the Archaerhodopsin-3 at 100K To Be Published.