Chlorine in PDB 4bq0: Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface

The structure of Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface, PDB code: 4bq0 was solved by M.N.Isupov, A.A.Lebedev, A.Westlake, C.Sayer, J.A.Littlechild, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.37 / 1.77
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.950, 192.180, 76.720, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 27.6

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface (pdb code 4bq0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface, PDB code: 4bq0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1449 b:26.4 occ:0.80 O A:HOH2459 2.8 22.3 1.0 N A:SER323 2.9 15.1 1.0 O B:HOH2205 3.1 22.9 1.0 CZ B:PHE173 3.5 12.5 1.0 CA A:PHE322 3.7 16.2 1.0 CG B:MET172 3.7 24.1 1.0 CB A:SER323 3.7 17.5 1.0 C A:PHE322 3.8 12.8 1.0 CA A:SER323 3.8 13.9 1.0 OG A:SER323 3.9 23.2 1.0 CB B:MET172 3.9 21.9 1.0 CE2 B:PHE173 4.1 16.7 1.0 O A:GLU321 4.1 17.9 1.0 CE1 B:PHE173 4.3 12.3 1.0 N A:PHE322 4.4 17.0 1.0 CD1 A:PHE322 4.4 13.9 1.0 O A:HOH2451 4.5 20.9 1.0 C A:GLU321 4.6 18.8 1.0 O B:HOH2206 4.6 31.9 1.0 O A:HOH2457 4.6 35.4 1.0 C A:SER323 4.6 16.5 1.0 O A:SER323 4.8 13.9 1.0 O B:GLY168 4.8 14.3 1.0 CB A:PHE322 4.9 15.0 1.0 CB A:ALA133 4.9 14.9 1.0 O A:PHE322 5.0 15.3 1.0

Chlorine binding site 2 out of 4 in the Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1450 b:22.6 occ:0.70 O B:HOH2353 2.7 23.0 1.0 N B:SER323 3.0 11.2 1.0 O A:HOH2283 3.1 19.6 1.0 CZ A:PHE173 3.5 16.9 1.0 CA B:PHE322 3.6 15.6 1.0 CG A:MET172 3.6 20.7 1.0 CB A:MET172 3.7 18.1 1.0 C B:PHE322 3.8 12.4 1.0 CB B:SER323 3.8 16.2 1.0 CA B:SER323 3.9 13.4 1.0 OG B:SER323 4.0 18.5 1.0 CE1 A:PHE173 4.1 17.5 1.0 CE2 A:PHE173 4.1 15.7 1.0 O B:GLU321 4.2 15.5 1.0 CD1 B:PHE322 4.3 13.1 1.0 N B:PHE322 4.4 17.7 1.0 O A:HOH2282 4.4 29.0 1.0 O B:HOH2352 4.5 37.8 1.0 C B:SER323 4.6 11.7 1.0 O B:HOH2346 4.6 23.7 1.0 C B:GLU321 4.6 13.5 1.0 O B:SER323 4.8 17.9 1.0 CB B:PHE322 4.8 16.8 1.0 CB B:ALA133 4.9 15.8 1.0 O A:GLY168 4.9 18.6 1.0 O B:PHE322 5.0 13.6 1.0 CG B:PHE322 5.0 15.4 1.0

Chlorine binding site 3 out of 4 in the Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1450 b:28.3 occ:0.70 O C:HOH2302 2.7 22.6 1.0 O C:HOH2305 2.9 31.5 1.0 N C:SER323 3.0 21.7 1.0 O D:HOH2129 3.3 19.1 1.0 CZ D:PHE173 3.4 26.5 1.0 CA C:PHE322 3.6 22.9 1.0 CG D:MET172 3.7 24.3 1.0 C C:PHE322 3.8 26.3 1.0 CB D:MET172 3.8 28.8 1.0 CB C:SER323 4.0 19.9 1.0 OG C:SER323 4.0 27.1 1.0 CE1 D:PHE173 4.0 23.7 1.0 CA C:SER323 4.0 20.2 1.0 O C:GLU321 4.1 29.7 1.0 CE2 D:PHE173 4.1 23.7 1.0 CD1 C:PHE322 4.2 18.6 1.0 N C:PHE322 4.3 24.3 1.0 O C:HOH2300 4.4 30.9 1.0 O C:HOH2294 4.5 24.5 1.0 C C:GLU321 4.5 25.4 1.0 CB C:ALA133 4.7 18.8 1.0 CB C:PHE322 4.7 18.8 1.0 C C:SER323 4.7 23.8 1.0 O D:HOH2128 4.8 44.7 1.0 CG C:PHE322 4.9 23.4 1.0 O C:SER323 5.0 25.0 1.0 O C:PHE322 5.0 26.2 1.0

Chlorine binding site 4 out of 4 in the Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pseudomonas Aeruginosa Beta-Alanine:Pyruvate Aminotransferase Holoenzyme Without Divalent Cations on Dimer-Dimer Interface within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1450 b:30.9 occ:0.70 O C:HOH2189 3.0 18.8 1.0 N D:SER323 3.0 19.6 1.0 O D:HOH2243 3.1 34.9 1.0 O D:HOH2242 3.2 26.5 1.0 CZ C:PHE173 3.4 24.4 1.0 CB D:SER323 3.6 21.1 0.4 CG C:MET172 3.7 25.2 1.0 CB C:MET172 3.7 24.8 1.0 CB D:SER323 3.8 18.2 0.6 CA D:PHE322 3.8 20.9 1.0 CA D:SER323 3.9 21.1 0.4 CA D:SER323 3.9 19.9 0.6 C D:PHE322 3.9 19.1 1.0 CE2 C:PHE173 3.9 22.3 1.0 CE1 C:PHE173 4.0 22.5 1.0 OG D:SER323 4.1 13.3 0.6 CD1 D:PHE322 4.2 17.9 1.0 O D:GLU321 4.4 24.4 1.0 C D:SER323 4.6 20.1 1.0 O C:HOH2190 4.6 36.1 1.0 N D:PHE322 4.6 23.7 1.0 O D:SER323 4.8 21.4 1.0 CB D:ALA133 4.8 20.7 1.0 O D:HOH2236 4.8 27.9 1.0 O C:GLY168 4.9 25.5 1.0 C D:GLU321 4.9 27.6 1.0 CB D:PHE322 4.9 20.9 1.0 OG D:SER323 4.9 18.7 0.4 O D:HOH2241 4.9 38.4 1.0 CD2 C:PHE173 4.9 27.8 1.0 CA C:MET172 4.9 23.5 1.0

A.A.Lebedev, M.N.Isupov. Space-Group and Origin Ambiguity in Macromolecular Structures with Pseudo-Symmetry and Its Treatment with the Program Zanuda. Acta Crystallogr.,Sect.D V. 70 2430 2014.
ISSN: ISSN 0907-4449
PubMed: 25195756
DOI: 10.1107/S1399004714014795