Chlorine in PDB 3ddh: The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482

The structure of The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482, PDB code: 3ddh was solved by M.E.Cuff, E.Duggan, J.Abdullah, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.40 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.119, 104.222, 121.212, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.3

The structure of The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482 also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482 (pdb code 3ddh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482, PDB code: 3ddh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl233 b:21.9 occ:1.00 O A:HOH325 3.2 20.2 1.0 O A:HOH248 3.2 29.7 1.0 NZ A:LYS155 3.3 24.5 1.0 N A:LYS127 3.3 29.1 1.0 O A:HOH330 3.3 35.0 1.0 O A:HOH251 3.4 23.6 1.0 OD1 A:ASP11 3.4 26.1 1.0 NZ A:LYS127 3.6 41.7 1.0 CE A:LYS155 3.7 25.7 1.0 CB A:LYS127 3.8 29.2 1.0 CD A:LYS155 3.8 23.2 1.0 CG A:LYS127 3.9 31.5 1.0 OG1 A:THR126 3.9 29.8 1.0 CA A:THR126 4.1 27.1 1.0 O A:HOH356 4.1 40.0 1.0 CA A:LYS127 4.1 30.3 1.0 C A:THR126 4.2 27.9 1.0 CE A:LYS127 4.4 38.4 1.0 CB A:THR126 4.6 27.3 1.0 CG A:ASP11 4.6 26.2 1.0 O A:LYS127 4.7 30.8 1.0 CD A:LYS127 4.7 33.8 1.0 C A:LYS127 4.8 30.8 1.0 O A:HOH334 4.8 38.6 1.0 O A:HOH236 4.8 20.8 1.0 O A:ALA125 4.9 26.4 1.0 OD1 A:ASP184 4.9 25.5 1.0 CG A:LYS155 5.0 24.9 1.0

Chlorine binding site 2 out of 2 in the The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl234 b:21.0 occ:1.00 O B:HOH378 3.1 28.6 1.0 N B:LYS127 3.2 28.4 1.0 NZ B:LYS155 3.2 23.4 1.0 O B:HOH452 3.3 18.1 1.0 OD1 B:ASP11 3.4 26.4 1.0 O B:HOH344 3.4 23.2 1.0 CE B:LYS155 3.7 25.3 1.0 CB B:LYS127 3.7 29.3 1.0 CE B:LYS127 3.8 36.2 1.0 OG1 B:THR126 3.9 27.2 1.0 CG B:LYS127 3.9 31.2 1.0 CD B:LYS155 3.9 24.8 1.0 CA B:THR126 4.0 26.3 1.0 CA B:LYS127 4.0 29.8 1.0 C B:THR126 4.1 26.3 1.0 O B:HOH395 4.2 37.1 1.0 CD B:LYS127 4.5 32.0 1.0 CB B:THR126 4.5 25.7 1.0 CG B:ASP11 4.6 24.6 1.0 O B:LYS127 4.6 31.0 1.0 C B:LYS127 4.7 30.9 1.0 O B:HOH449 4.8 15.6 1.0 O B:ALA125 4.9 25.5 1.0 CG B:LYS155 4.9 22.7 1.0

M.E.Cuff, E.Duggan, J.Abdullah, A.Joachimiak. The Structure of A Putative Haloacid Dehalogenase-Like Family Hydrolase From Bacteroides Thetaiotaomicron Vpi-5482 To Be Published.