Chlorine in PDB 3qze: Crystal Structure of Dapa (PA1010) at 1.6 A Resolution

All present enzymatic activity of Crystal Structure of Dapa (PA1010) at 1.6 A Resolution:
4.2.1.52;

The structure of Crystal Structure of Dapa (PA1010) at 1.6 A Resolution, PDB code: 3qze was solved by R.Schnell, T.Sandalova, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.59
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.110, 51.740, 140.350, 95.70, 90.02, 113.27
R / Rfree (%)	14.7 / 19.9

The binding sites of Chlorine atom in the Crystal Structure of Dapa (PA1010) at 1.6 A Resolution (pdb code 3qze). 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 Dapa (PA1010) at 1.6 A Resolution, PDB code: 3qze:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Dapa (PA1010) at 1.6 A 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 Dapa (PA1010) at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl293 b:14.8 occ:1.00 O B:HOH587 3.0 26.6 1.0 O B:HOH372 3.1 19.7 1.0 N B:ASN248 3.3 5.5 1.0 NZ A:LYS109 3.3 19.2 1.0 CD1 B:PHE244 3.5 16.2 1.0 NH2 B:ARG138 3.8 14.0 1.0 CA B:SER247 3.8 7.0 1.0 CE A:LYS109 3.8 14.6 1.0 CB B:ASN248 3.9 6.8 1.0 C B:SER247 4.0 6.3 1.0 O B:HOH428 4.1 23.2 1.0 CA B:ASN248 4.2 4.8 1.0 CE1 B:PHE244 4.3 17.8 1.0 CB B:SER247 4.4 9.4 1.0 CB B:PHE244 4.4 10.2 1.0 CG B:PHE244 4.4 11.8 1.0 O B:HOH365 4.5 18.5 1.0 CZ B:ARG138 4.6 9.5 1.0 O B:GLU246 4.6 8.1 1.0 O B:HOH396 4.7 22.3 1.0 OG B:SER247 4.7 11.2 1.0 N B:SER247 4.8 8.9 1.0 O B:ASN248 4.8 7.5 1.0 NE B:ARG138 4.9 9.1 1.0 CA B:PHE244 4.9 8.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Dapa (PA1010) at 1.6 A 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 Dapa (PA1010) at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl294 b:16.0 occ:1.00 O A:HOH367 3.2 18.2 1.0 N A:ASN248 3.2 8.7 1.0 NZ B:LYS109 3.4 22.2 1.0 CD1 A:PHE244 3.5 18.7 1.0 CA A:SER247 3.7 8.3 1.0 NH2 A:ARG138 3.7 12.2 1.0 CE B:LYS109 3.8 16.3 1.0 CB A:ASN248 3.9 8.0 1.0 C A:SER247 4.0 8.2 1.0 CA A:ASN248 4.2 8.1 1.0 CE1 A:PHE244 4.2 16.9 1.0 O A:HOH761 4.3 28.8 1.0 O A:HOH391 4.3 26.4 1.0 CB A:SER247 4.3 9.7 1.0 CZ A:ARG138 4.5 12.2 1.0 CG A:PHE244 4.5 16.6 1.0 O A:HOH358 4.5 18.4 1.0 CB A:PHE244 4.5 12.2 1.0 OG A:SER247 4.6 11.2 1.0 O A:GLU246 4.7 10.6 1.0 O A:ASN248 4.7 8.3 1.0 N A:SER247 4.8 9.5 1.0 NE A:ARG138 4.9 12.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Dapa (PA1010) at 1.6 A 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 Dapa (PA1010) at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl293 b:20.8 occ:1.00 O C:HOH685 3.0 25.0 1.0 N C:ASN248 3.2 14.1 1.0 CD1 C:PHE244 3.5 18.4 1.0 NZ D:LYS109 3.6 28.2 1.0 NH2 C:ARG138 3.6 19.9 1.0 CA C:SER247 3.7 13.7 1.0 CE D:LYS109 3.8 26.6 1.0 CB C:ASN248 3.9 14.3 1.0 C C:SER247 3.9 13.9 1.0 O C:HOH860 4.2 26.9 1.0 CA C:ASN248 4.2 14.1 1.0 CE1 C:PHE244 4.3 21.8 1.0 CB C:SER247 4.3 16.2 1.0 CB C:PHE244 4.5 17.7 1.0 CG C:PHE244 4.5 18.6 1.0 CZ C:ARG138 4.5 17.2 1.0 OG C:SER247 4.6 16.8 1.0 O C:HOH413 4.6 21.4 1.0 O C:GLU246 4.7 17.7 1.0 O C:ASN248 4.8 15.1 1.0 N C:SER247 4.8 12.4 1.0 NE C:ARG138 4.8 16.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Dapa (PA1010) at 1.6 A 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 Dapa (PA1010) at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl293 b:20.9 occ:1.00 O D:HOH585 3.0 21.4 1.0 N D:ASN248 3.2 10.4 1.0 NZ C:LYS109 3.4 24.3 1.0 CD1 D:PHE244 3.5 21.4 1.0 NH2 D:ARG138 3.5 20.1 1.0 CA D:SER247 3.7 10.8 1.0 CE C:LYS109 3.8 20.8 1.0 CB D:ASN248 3.8 9.7 1.0 C D:SER247 4.0 10.5 1.0 CA D:ASN248 4.2 10.5 1.0 CE1 D:PHE244 4.2 22.1 1.0 CB D:SER247 4.4 13.0 1.0 O D:HOH334 4.4 28.1 1.0 O D:HOH353 4.4 27.8 1.0 CZ D:ARG138 4.4 18.3 1.0 CG D:PHE244 4.5 17.6 1.0 CB D:PHE244 4.5 14.2 1.0 O D:GLU246 4.7 11.0 1.0 OG D:SER247 4.7 15.3 1.0 O D:ASN248 4.7 12.0 1.0 NE D:ARG138 4.8 16.4 1.0 N D:SER247 4.8 11.2 1.0

R.Schnell, W.Oehlmann, T.Sandalova, Y.Braun, C.Huck, M.Maringer, M.Singh, G.Schneider. Tetrahydrodipicolinate N-Succinyltransferase and Dihydrodipicolinate Synthase From Pseudomonas Aeruginosa: Structure Analysis and Gene Deletion. Plos One V. 7 31133 2012.
ISSN: ESSN 1932-6203
PubMed: 22359568
DOI: 10.1371/JOURNAL.PONE.0031133