Chlorine in PDB 6guy: Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation

The structure of Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation, PDB code: 6guy 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)	28.32 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.294, 48.271, 104.902, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 25.2

The structure of Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation (pdb code 6guy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation, PDB code: 6guy:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl715 b:44.9 occ:0.85 N A:ALA8 3.0 41.2 1.0 N A:GLY212 3.1 35.7 1.0 O A:HOH635 3.2 40.0 1.0 N A:ILE213 3.3 36.0 1.0 CA A:GLY210 3.4 37.8 1.0 CA A:GLY212 3.5 32.6 1.0 C A:GLY210 3.5 38.4 1.0 CA A:PCA7 3.6 46.6 1.0 N A:LEU211 3.8 36.4 1.0 C A:PCA7 3.8 42.8 1.0 CG1 A:ILE213 3.8 38.2 1.0 CB A:ALA8 3.9 37.8 1.0 C A:GLY212 3.9 34.8 1.0 O A:GLY210 3.9 37.4 1.0 CB A:PCA7 3.9 44.2 1.0 N A:GLY210 4.0 38.5 1.0 CA A:ALA8 4.0 40.2 1.0 C A:LEU211 4.2 35.3 1.0 CB A:ILE213 4.4 37.7 1.0 CA A:ILE213 4.4 32.4 1.0 CD1 A:ILE213 4.4 40.6 1.0 CA A:LEU211 4.6 36.1 1.0 N A:PCA7 4.8 50.8 1.0 O A:ALA8 4.9 36.3 1.0

Chlorine binding site 2 out of 3 in the Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl716 b:57.9 occ:1.00 O A:HOH586 2.6 38.6 1.0 N A:LYS47 3.3 38.1 1.0 O A:HOH520 3.3 40.5 1.0 CB A:LYS47 3.8 36.6 1.0 CA A:ASP46 4.0 43.6 1.0 OD1 A:ASP46 4.1 37.3 1.0 C A:ASP46 4.1 41.9 1.0 CA A:LYS47 4.2 41.6 1.0 O A:THR45 4.2 48.8 1.0 CG A:ASP46 4.5 38.7 1.0 O A:HOH629 4.6 46.5 1.0 CB A:ASP46 4.8 37.7 1.0 N A:ASP46 4.9 46.3 1.0 C A:THR45 4.9 48.4 1.0

Chlorine binding site 3 out of 3 in the Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl717 b:69.2 occ:1.00 N A:ASP46 3.3 46.3 1.0 N A:THR45 3.4 50.3 1.0 CB A:ASP46 3.6 37.7 1.0 CG1 A:VAL44 3.8 49.9 1.0 OG1 A:THR45 3.9 54.5 1.0 CA A:VAL44 4.0 53.3 1.0 CA A:ASP46 4.0 43.6 1.0 C A:VAL44 4.1 52.1 1.0 C A:THR45 4.2 48.4 1.0 CA A:THR45 4.2 51.1 1.0 CD2 A:LEU240 4.3 31.9 1.0 CB A:VAL44 4.4 51.9 1.0 CB A:THR45 4.7 51.8 1.0 CG2 A:VAL44 4.8 47.5 1.0 CG A:ASP46 4.9 38.7 1.0 O A:GLY43 4.9 63.7 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. Room Temperature Structure of Archaerhodopsin-3 Via Lcp Extruder Using Synchrotron Radiation To Be Published.