Chlorine in PDB 3d0k: Crystal Structure of the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis

The structure of Crystal Structure of the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis, PDB code: 3d0k was solved by Y.Kim, C.Tesar, R.Jedrzejczak, 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)	41.83 / 1.83
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.879, 83.710, 90.792, 90.00, 92.68, 90.00
R / Rfree (%)	16.4 / 20.9

The binding sites of Chlorine atom in the Crystal Structure of the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis (pdb code 3d0k). 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 the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis, PDB code: 3d0k:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis


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 Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:48.2 occ:1.00 O A:HOH417 3.1 44.2 1.0 ND2 A:ASN127 3.6 21.7 1.0 O A:HOH416 4.1 29.9 1.0 ND2 A:ASN8 4.5 26.2 1.0 CG A:ASN127 4.5 18.6 1.0 OD1 A:ASN127 4.6 22.2 1.0 OD1 A:ASP28 4.6 43.1 1.0 OH A:TYR26 4.7 32.8 1.0 O A:HOH414 4.7 27.2 1.0 NE A:ARG123 4.9 26.9 0.5

Chlorine binding site 2 out of 3 in the Crystal Structure of the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis


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 Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:48.9 occ:1.00 O A:HOH391 3.6 37.7 1.0 NH2 A:ARG229 3.8 30.1 1.0 CB A:PRO225 3.9 28.8 1.0 O A:HOH484 4.0 45.0 1.0 NH1 A:ARG229 4.0 30.6 1.0 CG A:PRO225 4.2 29.7 1.0 CZ A:ARG229 4.4 31.0 1.0 CD A:PRO225 4.7 30.9 1.0 N A:ALA226 4.9 27.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis


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 the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:44.9 occ:1.00 O B:HOH360 3.0 53.4 1.0 NH2 B:ARG111 3.5 34.4 1.0 N B:ALA106 3.9 24.1 1.0 NH1 B:ARG111 4.0 34.3 1.0 CA B:THR105 4.1 23.1 1.0 CB B:THR105 4.1 23.9 1.0 CZ B:ARG111 4.2 32.4 1.0 O B:HOH435 4.3 49.0 1.0 O B:HOH478 4.4 45.8 1.0 CG2 B:THR105 4.5 24.6 1.0 C B:THR105 4.5 23.3 1.0 O B:HOH359 4.6 36.6 1.0 CB B:ALA106 4.6 25.0 1.0 O B:HOH533 4.7 42.6 1.0 CA B:ALA106 4.9 24.5 1.0 NH2 B:ARG102 5.0 24.3 1.0

Y.Kim, C.Tesar, R.Jedrzejczak, A.Joachimiak. Crystal Structure of the Lpqc, Poly(3-Hydroxybutyrate) Depolymerase From Bordetella Parapertussis. To Be Published.