Chlorine in PDB 5j6b: Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph

The structure of Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph, PDB code: 5j6b was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.40 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.520, 143.660, 167.430, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.7

The binding sites of Chlorine atom in the Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph (pdb code 5j6b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph, PDB code: 5j6b:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph


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 Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:35.0 occ:1.00 O A:HOH1687 2.7 40.0 1.0 N A:ARG131 3.2 20.4 1.0 O A:HOH1551 3.2 35.5 1.0 O B:HOH847 3.3 31.4 1.0 CB A:ARG131 3.3 19.6 1.0 CD A:PRO130 3.6 26.0 1.0 CB A:SER129 3.7 26.9 1.0 N A:PRO130 3.8 25.4 1.0 OG A:SER129 3.8 34.7 1.0 CA A:ARG131 3.9 21.9 1.0 CB A:PRO130 4.1 23.9 1.0 C A:PRO130 4.2 24.8 1.0 CA A:PRO130 4.3 22.6 1.0 C A:SER129 4.3 23.9 1.0 CG A:PRO130 4.3 28.9 1.0 CG2 B:THR103 4.3 23.7 1.0 CA A:SER129 4.6 22.6 1.0 CG A:ARG131 4.6 35.1 1.0 NE A:ARG131 4.6 29.6 1.0 CD A:ARG131 4.7 35.7 1.0 O B:HOH853 4.9 32.1 1.0 OD2 B:ASP107 4.9 51.8 1.0 O A:SER129 5.0 20.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph


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 Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:37.0 occ:1.00 O B:HOH797 3.1 29.9 1.0 N B:ARG131 3.3 16.5 1.0 CB B:ARG131 3.3 19.9 1.0 CB B:SER129 3.6 21.8 1.0 OG B:SER129 3.6 23.0 1.0 CD B:PRO130 3.7 17.1 1.0 N B:PRO130 3.8 20.8 1.0 CA B:ARG131 3.9 17.5 1.0 C B:PRO130 4.3 16.3 1.0 CG2 A:THR103 4.3 17.0 1.0 C B:SER129 4.3 20.1 1.0 CB B:PRO130 4.4 17.1 1.0 CA B:PRO130 4.4 16.5 1.0 CG B:PRO130 4.5 22.6 1.0 CG B:ARG131 4.5 34.1 1.0 O A:HOH1698 4.5 35.1 1.0 CA B:SER129 4.5 21.0 1.0 CD B:ARG131 4.6 35.2 1.0 NE B:ARG131 4.6 28.6 1.0 OD2 A:ASP107 4.7 46.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph


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 Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:34.8 occ:1.00 O D:HOH864 3.2 37.4 1.0 N C:ARG131 3.3 20.8 1.0 O C:HOH832 3.3 38.5 1.0 CB C:ARG131 3.4 30.1 1.0 CD C:PRO130 3.6 24.0 1.0 OG C:SER129 3.6 28.6 1.0 CB C:SER129 3.7 25.9 1.0 N C:PRO130 3.8 19.4 1.0 CA C:ARG131 3.9 25.5 1.0 CG2 D:THR103 4.3 26.9 1.0 C C:PRO130 4.3 23.9 1.0 C C:SER129 4.3 18.6 1.0 CG C:PRO130 4.3 27.4 1.0 CB C:PRO130 4.3 25.9 1.0 CA C:PRO130 4.4 26.6 1.0 CA C:SER129 4.6 18.3 1.0 CG C:ARG131 4.6 38.0 1.0 CD C:ARG131 4.7 32.6 1.0 NE C:ARG131 4.7 25.4 1.0 OD2 D:ASP107 4.9 54.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl501 b:37.9 occ:1.00 O C:HOH870 3.2 34.5 1.0 N D:ARG131 3.4 22.7 1.0 O D:HOH747 3.4 34.7 1.0 CB D:ARG131 3.4 26.1 1.0 CD D:PRO130 3.6 18.6 1.0 CB D:SER129 3.7 21.7 1.0 OG D:SER129 3.8 34.8 1.0 N D:PRO130 3.8 21.5 1.0 CA D:ARG131 4.0 25.1 1.0 CG2 C:THR103 4.1 25.9 1.0 CB D:PRO130 4.3 26.6 1.0 C D:SER129 4.3 17.9 1.0 C D:PRO130 4.3 22.8 1.0 CG D:PRO130 4.4 23.7 1.0 CA D:PRO130 4.4 23.7 1.0 CA D:SER129 4.6 16.2 1.0 CG D:ARG131 4.6 35.0 1.0 CD D:ARG131 4.7 33.9 1.0 NE D:ARG131 4.7 19.8 1.0 O C:HOH790 4.8 31.7 1.0 OD2 C:ASP107 4.9 43.3 1.0

J.Abendroth, S.J.Mayclin, D.D.Lorimer, T.E.Edwards. Crystal Structure of Aldehyde Dehydrogenase From Burkholderia Thailandensis in Covelent Complex with Nadph To Be Published.