Chlorine in PDB 5v10: Crystal Structure of the Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1

The structure of Crystal Structure of the Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1, PDB code: 5v10 was solved by D.Borek, Z.Wawrzak, S.Grimshaw, J.Sandoval, E.Evdokimova, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.31 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.994, 62.279, 52.792, 90.00, 112.52, 90.00
R / Rfree (%)	22 / 28.3

The binding sites of Chlorine atom in the Crystal Structure of the Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1 (pdb code 5v10). 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 Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1, PDB code: 5v10:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1


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 Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:47.2 occ:1.00 O A:HOH334 2.7 21.6 1.0 N A:ALA50 3.1 26.3 1.0 CG A:GLN53 3.1 49.0 1.0 O A:GLY48 3.1 24.2 1.0 CB A:ALA50 3.3 24.7 1.0 C A:GLY48 3.3 20.2 1.0 N A:PHE49 3.7 23.8 1.0 CB A:GLN53 3.7 42.2 1.0 CA A:ALA50 3.8 22.9 1.0 CA A:PHE49 4.0 26.8 1.0 C A:PHE49 4.0 34.3 1.0 CA A:GLY48 4.1 26.8 1.0 CD A:GLN53 4.5 53.9 1.0 O A:ALA50 4.6 18.4 1.0 C A:ALA50 4.6 25.6 1.0 O A:ARG45 4.8 17.3 1.0 N A:GLN53 4.9 22.2 1.0 CA A:GLN53 4.9 29.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1


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 Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:34.5 occ:1.00 OH B:TYR29 2.6 16.7 1.0 O A:LEU33 2.9 8.4 1.0 NH1 A:ARG40 3.1 14.6 1.0 CE2 A:PHE114 3.2 13.6 1.0 NH2 A:ARG40 3.3 11.2 1.0 CZ A:PHE114 3.5 19.8 1.0 CZ B:TYR29 3.6 18.2 1.0 CZ A:ARG40 3.6 11.8 1.0 CB A:GLU37 3.7 9.5 1.0 CE2 B:TYR29 3.8 12.4 1.0 C A:LEU33 3.8 8.7 1.0 CD2 A:PHE114 3.8 12.6 1.0 N A:GLU37 3.8 7.8 1.0 CB A:LEU33 4.0 11.1 1.0 CA A:GLU37 4.0 8.4 1.0 CA A:LEU33 4.1 9.6 1.0 CE1 A:PHE114 4.4 14.6 1.0 OE1 A:GLU37 4.5 29.0 1.0 CG A:LEU33 4.5 13.7 1.0 C A:MET36 4.6 7.8 1.0 CB A:MET36 4.6 8.7 1.0 CG A:PHE114 4.6 12.2 1.0 CG A:GLU37 4.7 12.7 1.0 CE1 B:TYR29 4.8 14.3 1.0 CD2 A:LEU33 4.9 18.5 1.0 CG2 B:VAL30 4.9 10.0 1.0 CD1 A:PHE114 4.9 13.3 1.0 N A:LYS34 4.9 8.7 1.0 NE A:ARG40 5.0 10.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1


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 Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:63.5 occ:1.00 OE1 B:GLU67 3.2 43.1 1.0 OE2 A:GLU67 3.7 44.0 1.0 CD A:GLU67 3.8 32.8 1.0 CD B:ARG69 3.9 37.2 1.0 CG A:GLU67 4.0 28.0 1.0 CD B:GLU67 4.1 47.7 1.0 CG B:ARG69 4.3 40.5 1.0 OE1 A:GLU67 4.4 33.1 1.0 CB B:GLU67 4.6 13.8 1.0 OE2 B:GLU67 4.7 45.4 1.0 CG B:GLU67 4.9 41.1 1.0

D.Borek, Z.Wawrzak, S.Grimshaw, J.Sandoval, E.Evdokimova, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Putative Tol-Pal System-Associated Acyl-Coa Thioesterase From Pseudomonas Aeruginosa PAO1 To Be Published.