Chlorine in PDB 6s63: Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature

The structure of Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature, PDB code: 6s63 was solved by I.Moraes, P.J.Judge, D.Axford, J.F.Bada Juarez, J.Vinals, A.Watts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.68 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.910, 48.351, 105.364, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.2

The structure of Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature (pdb code 6s63). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature, PDB code: 6s63:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl715 b:18.3 occ:0.90 H A:ALA8 2.1 22.7 1.0 H A:ILE213 2.4 20.0 1.0 H A:GLY212 2.5 21.6 1.0 HA3 A:GLY210 2.8 30.0 1.0 HA A:PCA7 3.0 29.1 1.0 HG13 A:ILE213 3.1 23.9 1.0 HA3 A:GLY212 3.1 21.9 1.0 N A:ALA8 3.1 18.8 1.0 N A:GLY212 3.2 17.9 1.0 N A:ILE213 3.3 16.6 1.0 HB3 A:ALA8 3.3 21.9 1.0 H A:GLY210 3.3 27.3 1.0 C A:GLY210 3.4 21.6 1.0 CA A:GLY210 3.4 24.9 1.0 O A:HOH635 3.5 29.4 1.0 HB2 A:ALA8 3.5 21.9 1.0 CA A:GLY212 3.6 18.1 1.0 HB2 A:PCA7 3.7 29.9 1.0 O A:GLY210 3.7 18.7 1.0 CA A:PCA7 3.7 24.1 1.0 N A:LEU211 3.8 20.5 1.0 CB A:ALA8 3.8 18.1 1.0 N A:GLY210 3.8 22.6 1.0 HB A:ILE213 3.8 22.0 1.0 H A:LEU211 3.9 24.7 1.0 CG1 A:ILE213 3.9 19.8 1.0 C A:PCA7 3.9 20.9 1.0 C A:GLY212 4.0 16.5 1.0 CA A:ALA8 4.1 18.2 1.0 CB A:PCA7 4.1 24.8 1.0 CB A:ILE213 4.3 18.2 1.0 C A:LEU211 4.3 17.7 1.0 HA2 A:GLY210 4.3 30.0 1.0 HD11 A:ILE213 4.3 25.7 1.0 CA A:ILE213 4.4 16.6 1.0 HB3 A:PCA7 4.4 29.9 1.0 HD12 A:ILE213 4.4 25.7 1.0 H A:GLU214 4.5 19.8 0.5 H A:GLU214 4.5 19.8 0.5 HA2 A:GLY212 4.5 21.9 1.0 CD1 A:ILE213 4.5 21.3 1.0 HG13 A:VAL209 4.6 32.8 1.0 HG12 A:ILE213 4.6 23.9 1.0 CA A:LEU211 4.7 20.5 1.0 HB1 A:ALA8 4.7 21.9 1.0 O A:HOH556 4.7 42.6 1.0 HA A:ALA8 4.7 22.0 1.0 O A:ALA8 4.9 16.6 1.0 HA A:ILE213 5.0 20.1 1.0

Chlorine binding site 2 out of 3 in the Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl716 b:17.4 occ:0.60 H A:LYS47 2.4 24.6 1.0 HA A:ASP46 2.9 26.4 1.0 O A:HOH586 3.1 19.2 1.0 O A:HOH520 3.3 20.1 1.0 N A:LYS47 3.4 20.4 1.0 HB2 A:LYS47 3.5 28.6 1.0 CA A:ASP46 3.8 21.9 1.0 CG A:LYS47 3.9 30.4 1.0 OD2 A:ASP46 4.1 18.7 1.0 CB A:LYS47 4.1 23.8 1.0 C A:ASP46 4.1 22.0 1.0 O A:HOH584 4.3 37.2 1.0 CA A:LYS47 4.3 22.8 1.0 O A:THR45 4.3 27.1 1.0 O A:HOH629 4.4 30.1 1.0 CG A:ASP46 4.4 19.0 1.0 CB A:ASP46 4.6 20.1 1.0 N A:ASP46 4.7 23.7 1.0 H A:ASP48 4.8 23.7 1.0 HB2 A:ASP46 4.8 24.2 1.0 HA A:LYS47 4.8 27.5 1.0 C A:THR45 4.9 25.9 1.0 HB3 A:LYS47 5.0 28.6 1.0

Chlorine binding site 3 out of 3 in the Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dark-Adapted Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl717 b:34.1 occ:1.00 H A:ASP46 2.2 28.6 1.0 H A:THR45 2.3 39.2 1.0 HG13 A:VAL44 2.9 40.3 1.0 HB2 A:ASP46 3.2 24.2 1.0 HA A:VAL44 3.2 48.4 1.0 N A:ASP46 3.2 23.7 1.0 N A:THR45 3.2 32.5 1.0 HB3 A:ASP46 3.3 24.2 1.0 CB A:ASP46 3.6 20.1 1.0 OG1 A:THR45 3.7 32.2 1.0 HD21 A:LEU240 3.8 21.7 1.0 CG1 A:VAL44 3.9 33.5 1.0 HG1 A:THR45 3.9 38.8 1.0 CA A:VAL44 3.9 40.2 1.0 CA A:ASP46 4.0 21.9 1.0 HD22 A:LEU240 4.1 21.7 1.0 C A:VAL44 4.1 34.9 1.0 CA A:THR45 4.1 30.2 1.0 C A:THR45 4.2 25.9 1.0 HB3 A:ALA49 4.2 23.6 1.0 CD2 A:LEU240 4.2 18.0 1.0 HD23 A:LEU240 4.3 21.7 1.0 HG22 A:VAL44 4.3 45.4 1.0 HG12 A:VAL44 4.3 40.3 1.0 HG11 A:VAL44 4.4 40.3 1.0 CB A:VAL44 4.4 40.2 1.0 O A:HOH584 4.5 37.2 1.0 CB A:THR45 4.6 35.3 1.0 HA A:ASP46 4.6 26.4 1.0 HB2 A:ALA49 4.7 23.6 1.0 CB A:ALA49 4.8 19.5 1.0 HB1 A:ALA49 4.9 23.6 1.0 O A:GLY43 4.9 53.0 1.0 CG2 A:VAL44 4.9 37.7 1.0 HG23 A:THR45 5.0 49.1 1.0

J.F.Bada Juarez, P.J.Judge, J.Vinals, D.Axford, J.Birch, P.Aller, A.Butryn, D.A.Sherrell, J.H.Beale, A.M.Orville, A.Watts, I.Moraes. Structure of Archaerhodopsin-3 Obtained From Lcp Crystals To Be Published.