Chlorine in PDB 3o9z: Crystal Structure of the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution

The structure of Crystal Structure of the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution, PDB code: 3o9z was solved by H.M.Holden, J.B.Thoden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.781, 68.199, 164.053, 90.00, 94.66, 90.00
R / Rfree (%)	19.4 / 22.6

The binding sites of Chlorine atom in the Crystal Structure of the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution (pdb code 3o9z). 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 the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution, PDB code: 3o9z:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution


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 Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:17.2 occ:1.00 O D:HOH517 3.1 29.0 1.0 NZ B:LYS166 3.2 16.2 1.0 N A:THR52 3.2 12.6 1.0 N A:GLU53 3.4 14.9 1.0 CG A:GLU53 3.6 17.0 1.0 CA A:PHE51 3.6 12.2 1.0 O A:HOH388 3.6 26.9 1.0 CD1 A:PHE51 3.7 14.7 1.0 OG1 A:THR52 3.7 16.6 1.0 CB A:PHE51 3.8 13.3 1.0 C A:PHE51 3.9 12.2 1.0 CB A:GLU53 3.9 13.7 1.0 CB A:ALA56 4.0 13.2 1.0 CE B:LYS166 4.0 17.5 1.0 CD B:LYS166 4.0 18.3 1.0 CA A:THR52 4.2 12.8 1.0 CG A:PHE51 4.2 12.4 1.0 C A:THR52 4.3 14.0 1.0 CA A:GLU53 4.3 14.1 1.0 O A:GLU53 4.5 13.9 1.0 CB A:THR52 4.6 14.7 1.0 CD A:GLU53 4.7 24.4 1.0 CE1 A:PHE51 4.8 14.4 1.0 OE1 A:GLU53 4.8 35.7 1.0 O A:PHE50 4.8 13.6 1.0 C A:GLU53 4.9 13.5 1.0 N A:PHE51 4.9 11.6 1.0 O A:HOH1102 5.0 41.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution


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 Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl315 b:14.1 occ:1.00 O C:HOH461 3.2 22.4 1.0 NZ A:LYS166 3.2 13.5 1.0 N B:THR52 3.3 10.8 1.0 N B:GLU53 3.4 12.0 1.0 CA B:PHE51 3.6 8.2 1.0 CG B:GLU53 3.6 13.1 1.0 CD1 B:PHE51 3.7 12.5 1.0 OG1 B:THR52 3.8 13.8 1.0 C1 B:EDO314 3.8 18.0 1.0 CB B:PHE51 3.8 11.6 1.0 O1 B:EDO314 3.9 23.8 1.0 CE A:LYS166 3.9 12.5 1.0 CB B:ALA56 3.9 12.2 1.0 C B:PHE51 3.9 11.1 1.0 CB B:GLU53 4.0 13.3 1.0 CD A:LYS166 4.0 14.0 1.0 CG B:PHE51 4.2 11.8 1.0 CA B:THR52 4.2 12.2 1.0 CA B:GLU53 4.3 14.1 1.0 C B:THR52 4.3 12.5 1.0 O B:GLU53 4.5 11.5 1.0 CB B:THR52 4.6 12.6 1.0 CE1 B:PHE51 4.8 11.3 1.0 O B:PHE50 4.8 12.6 1.0 CD B:GLU53 4.8 19.4 1.0 C B:GLU53 4.9 11.5 1.0 N B:PHE51 4.9 10.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution


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 Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl314 b:16.8 occ:1.00 NZ D:LYS166 3.2 20.3 1.0 O B:HOH428 3.2 24.6 1.0 N C:THR52 3.2 13.2 1.0 N C:GLU53 3.4 12.7 1.0 CG C:GLU53 3.5 14.6 1.0 CA C:PHE51 3.6 13.4 1.0 C2 C:EDO313 3.7 25.7 1.0 CD1 C:PHE51 3.7 15.3 1.0 OG1 C:THR52 3.8 17.2 1.0 CB C:PHE51 3.8 14.8 1.0 O2 C:EDO313 3.8 32.5 1.0 CE D:LYS166 3.9 20.6 1.0 C C:PHE51 3.9 12.4 1.0 CB C:GLU53 3.9 14.4 1.0 CB C:ALA56 3.9 13.1 1.0 CD D:LYS166 4.0 18.4 1.0 CA C:THR52 4.2 11.9 1.0 CG C:PHE51 4.2 13.3 1.0 CA C:GLU53 4.2 13.7 1.0 C C:THR52 4.3 12.9 1.0 O C:GLU53 4.5 13.2 1.0 CB C:THR52 4.6 14.6 1.0 O C:PHE50 4.8 16.4 1.0 CE1 C:PHE51 4.8 15.9 1.0 CD C:GLU53 4.8 26.4 1.0 O B:HOH779 4.9 46.0 1.0 N C:PHE51 4.9 11.9 1.0 C C:GLU53 4.9 13.6 1.0 C1 C:EDO313 5.0 25.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution


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 the Wlba (Wbpb) Dehydrogenase From Thermus Thermophilus in Complex with Nad and Alpha-Ketoglutarate at 1.45 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl313 b:19.9 occ:1.00 O A:HOH586 3.1 25.9 1.0 NZ C:LYS166 3.2 22.6 1.0 N D:THR52 3.3 17.2 1.0 N D:GLU53 3.4 14.8 1.0 CG D:GLU53 3.5 17.7 0.5 CA D:PHE51 3.6 13.0 1.0 O D:HOH723 3.6 32.9 1.0 CG D:GLU53 3.6 17.2 0.5 CD1 D:PHE51 3.7 17.3 1.0 CB D:PHE51 3.7 14.1 1.0 CD C:LYS166 3.7 25.1 1.0 CB D:GLU53 3.8 17.4 0.5 OG1 D:THR52 3.9 21.7 1.0 CB D:GLU53 3.9 17.4 0.5 CE C:LYS166 3.9 20.1 1.0 C D:PHE51 3.9 14.3 1.0 CB D:ALA56 4.0 13.6 1.0 CG D:PHE51 4.1 14.9 1.0 CA D:GLU53 4.2 15.1 0.5 CA D:GLU53 4.2 15.2 0.5 CA D:THR52 4.2 15.8 1.0 C D:THR52 4.3 15.2 1.0 O D:GLU53 4.5 14.9 1.0 CB D:THR52 4.7 16.0 1.0 O D:PHE50 4.8 18.0 1.0 CE1 D:PHE51 4.8 17.8 1.0 CD D:GLU53 4.8 26.6 0.5 CD D:GLU53 4.8 22.3 0.5 N D:PHE51 4.9 14.0 1.0 OE1 D:GLU53 4.9 25.3 0.5 C D:GLU53 4.9 14.0 1.0 O C:HOH913 4.9 41.7 1.0

J.B.Thoden, H.M.Holden. Structural and Functional Studies of Wlba: A Dehydrogenase Involved in the Biosynthesis of 2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid . Biochemistry V. 49 7939 2010.
ISSN: ISSN 0006-2960
PubMed: 20690587
DOI: 10.1021/BI101103S