Chlorine in PDB 2e6u: Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii

The structure of Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii, PDB code: 2e6u was solved by Y.Kitago, Y.Min, N.Watanabe, I.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.563, 69.563, 142.606, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 23.3

The structure of Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii (pdb code 2e6u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii, PDB code: 2e6u:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl202 b:38.4 occ:0.50 OG X:SER117 3.0 29.6 1.0 OH X:TYR112 3.4 25.8 1.0 CE2 X:TYR112 3.8 22.8 1.0 CZ X:TYR112 4.0 23.6 1.0 CB X:SER117 4.1 26.2 1.0 CG2 X:ILE127 4.3 23.7 1.0 CB X:ALA129 4.9 22.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl203 b:18.5 occ:0.50 N X:LEU63 3.3 14.1 1.0 O X:HOH212 3.3 20.7 1.0 CB X:PRO32 3.6 17.3 1.0 CA X:LEU63 4.0 15.6 1.0 C X:VAL62 4.2 14.6 1.0 CA X:PRO32 4.2 16.5 1.0 CA X:VAL62 4.3 14.3 1.0 O X:GLU61 4.7 15.9 1.0 N X:GLY64 4.8 15.8 1.0 O X:PRO32 4.8 17.1 1.0 CG X:PRO32 4.9 17.4 1.0 CG X:LEU63 4.9 18.3 1.0 C X:LEU63 4.9 15.7 1.0 CD2 X:LEU63 5.0 19.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hypothetical Protein PH1109 From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl204 b:69.7 occ:1.00 O X:LYS58 3.1 16.6 1.0 CD1 X:TYR59 4.0 15.3 1.0 C X:LYS58 4.2 15.6 1.0 CE1 X:TYR59 4.3 15.2 1.0 CG X:LYS58 4.3 15.7 1.0 CA X:TYR59 4.6 16.0 1.0 CE X:LYS58 4.9 18.7 1.0 N X:TYR59 4.9 15.3 1.0 CG X:TYR59 4.9 16.0 1.0

Y.Kitago, N.Watanabe, I.Tanaka. Structure Determination of A Novel Protein By Sulfur Sad Using Chromium Radiation in Combination with A New Crystal-Mounting Method Acta Crystallogr.,Sect.D V. 61 1013 2005.
ISSN: ISSN 0907-4449
PubMed: 16041065
DOI: 10.1107/S0907444905012734