Chlorine in PDB 6guz: Ground State Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature

The structure of Ground State Structure of Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich at Room Temperature, PDB code: 6guz 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)	35.52 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.254, 48.302, 104.835, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.1

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

Chlorine binding site 1 out of 3 in the Ground State 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 Ground State 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:22.0 occ:1.00 H A:ALA8 2.2 19.6 1.0 H A:ILE213 2.4 14.6 1.0 H A:GLY212 2.5 15.1 1.0 HA3 A:GLY210 2.9 18.8 1.0 HG13 A:ILE213 3.0 16.9 1.0 HA A:PCA7 3.1 25.3 1.0 HA3 A:GLY212 3.1 14.8 1.0 N A:ALA8 3.2 19.6 1.0 O A:HOH635 3.2 34.6 1.0 N A:GLY212 3.2 14.9 1.0 H A:GLY210 3.3 19.6 1.0 N A:ILE213 3.4 14.8 1.0 C A:GLY210 3.4 17.7 1.0 HB3 A:ALA8 3.5 18.7 1.0 CA A:GLY210 3.5 19.2 1.0 HB2 A:ALA8 3.5 18.7 1.0 CA A:GLY212 3.6 15.0 1.0 HB3 A:PCA7 3.6 25.7 1.0 O A:GLY210 3.7 15.9 1.0 N A:GLY210 3.8 18.8 1.0 CA A:PCA7 3.8 24.8 1.0 HB A:ILE213 3.8 15.5 1.0 CB A:ALA8 3.8 19.3 1.0 CG1 A:ILE213 3.8 17.2 1.0 N A:LEU211 3.8 17.2 1.0 H A:LEU211 4.0 17.3 1.0 C A:PCA7 4.0 21.8 1.0 C A:GLY212 4.0 14.4 1.0 HD11 A:ILE213 4.1 17.6 1.0 CA A:ALA8 4.1 17.5 1.0 CB A:PCA7 4.1 26.9 1.0 CB A:ILE213 4.2 15.3 1.0 C A:LEU211 4.3 15.4 1.0 CD1 A:ILE213 4.3 17.8 1.0 HD12 A:ILE213 4.4 17.6 1.0 HB2 A:PCA7 4.4 25.8 1.0 HA2 A:GLY210 4.4 18.8 1.0 CA A:ILE213 4.4 14.3 1.0 HA2 A:GLY212 4.5 14.8 1.0 H A:GLU214 4.5 12.5 0.5 H A:GLU214 4.5 13.4 0.5 HG12 A:ILE213 4.6 16.9 1.0 CA A:LEU211 4.7 17.1 1.0 HB1 A:ALA8 4.8 18.7 1.0 HA A:ALA8 4.8 18.3 1.0 O A:ALA8 4.8 16.2 1.0 C A:ALA8 5.0 17.7 1.0

Chlorine binding site 2 out of 3 in the Ground State 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 Ground State 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:30.6 occ:1.00 H A:LYS47 2.4 20.5 1.0 HA A:ASP46 2.9 20.5 1.0 O A:HOH575 2.9 20.9 1.0 O A:HOH586 3.1 17.5 1.0 N A:LYS47 3.3 20.7 1.0 CA A:ASP46 3.8 21.0 1.0 C A:ASP46 4.0 20.3 1.0 OD1 A:ASP46 4.0 17.8 1.0 CB A:LYS47 4.1 18.7 1.0 CA A:LYS47 4.3 20.4 1.0 CG A:ASP46 4.3 18.6 1.0 O A:THR45 4.3 26.5 1.0 CB A:ASP46 4.6 18.1 1.0 O A:HOH629 4.6 22.1 1.0 N A:ASP46 4.7 22.1 1.0 H A:ASP48 4.8 17.8 1.0 HA A:LYS47 4.8 20.0 1.0 HB2 A:ASP46 4.8 18.8 1.0 C A:THR45 4.9 25.4 1.0

Chlorine binding site 3 out of 3 in the Ground State 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 Ground State 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:52.3 occ:1.00 H A:ASP46 2.2 22.6 1.0 H A:THR45 2.3 29.6 1.0 HB2 A:ASP46 3.0 18.8 1.0 HG13 A:VAL44 3.1 34.6 1.0 N A:ASP46 3.2 22.1 1.0 N A:THR45 3.2 29.6 1.0 HB3 A:ASP46 3.3 18.8 1.0 HA A:VAL44 3.4 33.6 1.0 CB A:ASP46 3.6 18.1 1.0 OG1 A:THR45 3.6 33.7 1.0 HD21 A:LEU240 3.7 16.4 1.0 CA A:ASP46 4.0 21.0 1.0 CG1 A:VAL44 4.0 34.4 1.0 CA A:THR45 4.1 28.2 1.0 CA A:VAL44 4.1 34.8 1.0 C A:THR45 4.1 25.4 1.0 HG22 A:VAL44 4.1 36.7 1.0 HD22 A:LEU240 4.1 16.4 1.0 C A:VAL44 4.1 31.3 1.0 CD2 A:LEU240 4.2 16.6 1.0 HB3 A:ALA49 4.3 17.2 1.0 HG1 A:THR45 4.3 32.4 1.0 HD23 A:LEU240 4.3 16.4 1.0 CB A:THR45 4.4 29.5 1.0 HG23 A:THR45 4.4 30.0 1.0 HG11 A:VAL44 4.5 34.6 1.0 CB A:VAL44 4.5 35.1 1.0 HA A:ASP46 4.5 20.5 1.0 HG12 A:VAL44 4.6 34.6 1.0 CG2 A:VAL44 4.8 37.4 1.0 HB2 A:ALA49 4.9 17.2 1.0 CB A:ALA49 4.9 17.6 1.0 O A:GLY43 4.9 39.4 1.0 CG A:ASP46 4.9 18.6 1.0 HA A:THR45 5.0 28.1 1.0 CG2 A:THR45 5.0 30.2 1.0 HB1 A:ALA49 5.0 17.2 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 the Archaerhodopsin-3 Obtained From Lcp Crystals Using A Thin-Film Sandwich To Be Published.