Chlorine in PDB 2i6h: Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens

The structure of Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens, PDB code: 2i6h was solved by J.Osipiuk, X.Xu, J.Gu, A.Savchenko, A.Edwards, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.00 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.490, 101.193, 103.656, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.9

The structure of Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens (pdb code 2i6h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens, PDB code: 2i6h:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:23.9 occ:1.00 O A:HOH679 3.1 34.2 1.0 CD2 A:HIS159 3.2 23.4 0.6 N A:HIS159 3.2 16.3 1.0 OH A:TYR175 3.3 29.8 1.0 CD A:PRO158 3.4 14.8 1.0 CB A:HIS159 3.5 17.9 0.4 CB A:HIS159 3.5 18.5 0.6 N A:PRO158 3.5 15.7 1.0 CG A:HIS159 3.6 20.6 0.6 CB A:PHE157 3.7 13.5 1.0 CA A:PHE157 3.7 13.9 1.0 C A:PHE157 3.7 14.4 1.0 CE2 A:TYR175 3.8 32.6 1.0 CA A:HIS159 3.9 16.8 0.4 CD1 A:PHE157 3.9 13.1 1.0 CA A:HIS159 3.9 16.8 0.6 CG2 A:ILE150 4.0 11.8 1.0 CZ A:TYR175 4.0 31.6 1.0 C A:PRO158 4.2 15.5 1.0 CA A:PRO158 4.3 15.7 1.0 CG A:PHE157 4.3 12.6 1.0 CD1 A:ILE150 4.3 16.0 1.0 NE2 A:HIS159 4.4 25.3 0.6 O A:PHE157 4.5 14.2 1.0 CB A:PRO158 4.5 15.0 1.0 CG A:PRO158 4.5 17.9 1.0 CG A:HIS159 4.8 20.3 0.4 ND1 A:HIS159 4.9 24.9 0.6

Chlorine binding site 2 out of 3 in the Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:22.0 occ:1.00 O A:HOH599 2.8 23.9 1.0 O B:HOH593 2.9 21.3 1.0 O A:HOH605 3.1 21.0 1.0 N B:LEU139 3.2 12.6 1.0 N B:TYR140 3.5 13.7 1.0 CE2 A:TYR140 3.6 15.1 1.0 CD2 B:TYR140 3.7 13.9 1.0 CA B:LEU139 3.9 13.4 1.0 CB B:LEU139 3.9 11.6 1.0 C B:GLY138 4.0 14.1 1.0 CG B:TYR140 4.0 13.2 1.0 CA B:GLY138 4.1 13.1 1.0 C B:LEU139 4.2 13.0 1.0 CE2 B:TYR140 4.2 14.9 1.0 O B:GLY137 4.2 13.4 1.0 CD2 A:TYR140 4.2 14.8 1.0 CB B:TYR140 4.4 13.8 1.0 CZ A:TYR140 4.5 14.8 1.0 CA B:TYR140 4.5 13.4 1.0 OH A:TYR140 4.6 15.0 1.0 CD1 B:TYR140 4.7 15.3 1.0 O A:HOH652 4.7 27.4 1.0 CA B:CA503 4.7 19.9 0.8 CZ B:TYR140 4.8 13.6 1.0 CG B:LEU139 4.8 14.1 1.0 O B:HOH582 4.9 22.6 1.0 C B:GLY137 5.0 13.6 1.0 N B:GLY138 5.0 13.2 1.0 CE1 B:TYR140 5.0 15.3 1.0

Chlorine binding site 3 out of 3 in the Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Protein of Unknown Function ATU0120 From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:29.3 occ:1.00 ND1 B:HIS159 2.9 17.4 0.5 N B:HIS159 3.1 17.7 1.0 CD2 B:HIS159 3.2 24.2 0.5 CD B:PRO158 3.3 19.4 1.0 N B:PRO158 3.4 18.2 1.0 CB B:HIS159 3.5 18.9 0.5 CB B:HIS159 3.5 17.7 0.5 CG B:HIS159 3.6 17.3 0.5 C B:PHE157 3.6 17.1 1.0 CA B:PHE157 3.7 15.4 1.0 CG B:HIS159 3.7 21.6 0.5 CB B:PHE157 3.7 15.2 1.0 OH B:TYR175 3.8 29.1 0.5 CA B:HIS159 3.9 17.7 0.5 CA B:HIS159 3.9 17.0 0.5 CG2 B:ILE150 3.9 19.2 1.0 CE2 B:TYR175 3.9 27.9 0.5 CE1 B:HIS159 3.9 18.2 0.5 CD1 B:PHE157 4.0 14.5 1.0 C B:PRO158 4.1 18.4 1.0 CE2 B:TYR175 4.1 30.9 0.5 CA B:PRO158 4.1 19.6 1.0 CB B:PRO158 4.3 20.4 1.0 CZ B:TYR175 4.3 28.0 0.5 CD1 B:ILE150 4.3 21.2 1.0 CG B:PRO158 4.4 21.1 1.0 CG B:PHE157 4.4 12.9 1.0 O B:PHE157 4.4 15.5 1.0 OH B:TYR175 4.4 30.1 0.5 NE2 B:HIS159 4.5 25.0 0.5 CZ B:TYR175 4.7 30.8 0.5 CD2 B:HIS159 4.8 18.0 0.5 CG1 B:ILE150 5.0 20.5 1.0 CB B:ILE150 5.0 20.7 1.0 NE2 B:HIS159 5.0 20.3 0.5

J.Osipiuk, X.Xu, J.Gu, A.Savchenko, A.Edwards, A.Joachimiak. X-Ray Crystal Structure of Hypothetical Protein ATU0120 From Agrobacterium Tumefaciens. To Be Published.