Chlorine in PDB 2dr1: Crystal Structure of the PH1308 Protein From Pyrococcus Horikoshii OT3

The structure of Crystal Structure of the PH1308 Protein From Pyrococcus Horikoshii OT3, PDB code: 2dr1 was solved by H.Mizutani, N.Kunishima, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	181.238, 181.238, 47.289, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 20.2

The structure of Crystal Structure of the PH1308 Protein From Pyrococcus Horikoshii OT3 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the PH1308 Protein From Pyrococcus Horikoshii OT3 (pdb code 2dr1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the PH1308 Protein From Pyrococcus Horikoshii OT3, PDB code: 2dr1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the PH1308 Protein From Pyrococcus Horikoshii OT3


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 the PH1308 Protein From Pyrococcus Horikoshii OT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1103 b:44.7 occ:1.00 O B:HOH1120 3.0 21.1 1.0 NE2 A:HIS46 3.3 19.0 1.0 NH2 A:ARG47 3.4 27.4 1.0 NE A:ARG47 3.5 27.4 1.0 OH B:TYR344 3.8 51.3 1.0 CE1 A:HIS46 3.9 19.0 1.0 CZ A:ARG47 3.9 28.8 1.0 O B:HOH1239 4.1 36.5 1.0 NH2 B:ARG109 4.1 26.9 1.0 O B:HOH1247 4.1 46.4 1.0 O A:HOH1307 4.3 50.8 1.0 CD2 A:HIS46 4.5 19.9 1.0 CZ B:PHE106 4.5 25.1 1.0 CZ B:TYR344 4.6 50.5 1.0 O A:PRO255 4.7 16.3 1.0 CE1 B:PHE106 4.7 23.1 1.0 CD A:ARG47 4.7 27.4 1.0 CG A:ARG47 4.8 24.4 1.0 OG1 A:THR257 4.8 17.6 1.0 CE1 B:TYR344 4.9 50.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the PH1308 Protein From Pyrococcus Horikoshii OT3


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 the PH1308 Protein From Pyrococcus Horikoshii OT3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1104 b:50.3 occ:1.00 O A:HOH1107 3.2 19.4 1.0 NH2 B:ARG47 3.4 21.0 1.0 NE2 B:HIS46 3.4 16.8 1.0 OH A:TYR344 3.4 37.9 1.0 NE B:ARG47 3.5 21.5 1.0 CE1 B:HIS46 3.9 18.6 1.0 O B:HOH1315 3.9 50.5 1.0 O A:HOH1206 3.9 41.8 1.0 CZ B:ARG47 3.9 20.3 1.0 O A:HOH1238 4.1 30.1 1.0 NH2 A:ARG109 4.2 24.9 1.0 CZ A:TYR344 4.2 37.4 1.0 CE1 A:TYR344 4.5 37.9 1.0 O B:PRO255 4.5 15.6 1.0 CD2 B:HIS46 4.6 16.6 1.0 CZ A:PHE106 4.7 21.2 1.0 CD B:ARG47 4.7 20.6 1.0 CG B:ARG47 4.7 17.1 1.0 CE1 A:PHE106 4.8 20.9 1.0 O A:HOH1140 4.9 26.0 1.0

H.Mizutani, N.Kunishima. Crystal Structure of the PH1308 Protein From Pyrococcus Horikoshii OT3 To Be Published.