Chlorine in PDB 2pbl: Crystal Structure of A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution

The structure of Crystal Structure of A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution, PDB code: 2pbl was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.45 / 1.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.197, 74.438, 95.727, 90.00, 113.39, 90.00
R / Rfree (%)	22.1 / 27

The structure of Crystal Structure of A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution (pdb code 2pbl). 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 A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution, PDB code: 2pbl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 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 A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl262 b:24.7 occ:1.00 O A:HOH364 3.0 24.9 1.0 O A:HOH506 3.2 37.2 1.0 O A:HOH270 3.2 12.9 1.0 NH2 A:ARG107 3.3 31.7 1.0 N A:SER109 3.3 14.2 1.0 NE A:ARG107 3.5 30.1 1.0 OG A:SER109 3.5 19.4 1.0 CB A:SER109 3.6 15.7 1.0 CZ A:ARG107 3.7 35.2 1.0 CB A:ARG107 4.0 19.3 1.0 N A:ILE108 4.0 15.8 1.0 CG A:MSE185 4.1 22.6 1.0 CA A:SER109 4.1 16.0 1.0 CG A:GLU193 4.3 18.1 1.0 CB A:ILE108 4.3 12.4 1.0 C A:ILE108 4.3 14.5 1.0 CB A:ALA189 4.3 21.2 1.0 CA A:ILE108 4.4 12.5 1.0 SE A:MSE185 4.5 21.1 0.8 CD A:ARG107 4.6 30.7 1.0 O A:ALA189 4.6 17.3 1.0 C A:ARG107 4.7 16.5 1.0 CG A:ARG107 4.7 22.9 1.0 CA A:ARG107 4.8 18.8 1.0 NH1 A:ARG107 5.0 37.6 1.0 C A:ALA189 5.0 17.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 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 A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl263 b:23.0 occ:1.00 O B:HOH446 3.0 32.2 1.0 O B:HOH330 3.1 22.2 1.0 O B:HOH291 3.3 17.3 1.0 N B:SER109 3.3 14.1 1.0 NH2 B:ARG107 3.4 34.5 1.0 OG B:SER109 3.4 14.9 1.0 NE B:ARG107 3.6 31.4 1.0 CB B:SER109 3.7 18.9 1.0 CZ B:ARG107 3.9 36.2 1.0 CB B:ARG107 4.0 16.2 1.0 N B:ILE108 4.0 14.4 1.0 CA B:SER109 4.1 14.7 1.0 CG B:MSE185 4.1 22.5 1.0 CB B:ILE108 4.3 12.5 1.0 C B:ILE108 4.3 12.8 1.0 CB B:ALA189 4.3 21.6 1.0 CA B:ILE108 4.4 12.8 1.0 CG B:GLU193 4.4 13.5 1.0 SE B:MSE185 4.5 20.8 0.8 C B:ARG107 4.6 16.1 1.0 O B:ALA189 4.6 16.6 1.0 O A:HOH498 4.6 36.7 1.0 CD B:ARG107 4.7 26.4 1.0 CG B:ARG107 4.8 19.4 1.0 CA B:ARG107 4.8 16.9 1.0 C B:ALA189 5.0 18.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 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 A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl262 b:20.7 occ:1.00 O C:HOH285 3.1 17.4 1.0 O C:HOH283 3.1 16.9 1.0 NH2 C:ARG107 3.3 36.2 1.0 N C:SER109 3.4 11.5 1.0 NE C:ARG107 3.5 42.7 1.0 OG C:SER109 3.5 17.4 1.0 CB C:SER109 3.7 16.0 1.0 CZ C:ARG107 3.7 40.5 1.0 CB C:ARG107 3.8 15.8 1.0 N C:ILE108 3.9 15.4 1.0 CG C:MSE185 4.0 19.2 1.0 CA C:SER109 4.1 14.8 1.0 CB C:ALA189 4.3 22.1 1.0 CB C:ILE108 4.3 14.5 1.0 C C:ILE108 4.3 11.2 1.0 CA C:ILE108 4.4 10.7 1.0 SE C:MSE185 4.5 16.9 0.8 CG C:GLU193 4.5 17.2 1.0 C C:ARG107 4.5 17.1 1.0 CD C:ARG107 4.6 31.1 1.0 O C:ALA189 4.7 16.4 1.0 CA C:ARG107 4.7 13.6 1.0 CG C:ARG107 4.7 19.4 1.0 O D:HOH458 4.9 34.8 1.0 NH1 C:ARG107 4.9 35.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 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 A Putative Thioesterase (TM1040_2492) From Silicibacter Sp. TM1040 at 1.79 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl262 b:21.4 occ:1.00 O D:HOH290 3.0 16.6 1.0 OG D:SER109 3.3 15.3 1.0 N D:SER109 3.4 13.3 1.0 O D:HOH276 3.4 14.3 1.0 NH2 D:ARG107 3.4 34.1 1.0 NE D:ARG107 3.4 36.4 1.0 O D:HOH461 3.5 35.2 1.0 CB D:SER109 3.7 15.8 1.0 CZ D:ARG107 3.8 35.3 1.0 CB D:ARG107 3.9 21.3 1.0 N D:ILE108 4.0 13.7 1.0 CA D:SER109 4.1 14.7 1.0 CG D:MSE185 4.2 16.3 1.0 CB D:ALA189 4.3 18.4 1.0 C D:ILE108 4.3 11.1 1.0 CB D:ILE108 4.3 10.8 1.0 CG D:GLU193 4.4 16.4 1.0 CA D:ILE108 4.4 12.8 1.0 CD D:ARG107 4.5 27.4 1.0 SE D:MSE185 4.5 18.4 0.8 O C:HOH544 4.6 45.9 1.0 C D:ARG107 4.6 16.6 1.0 CG D:ARG107 4.7 23.7 1.0 O D:ALA189 4.7 16.4 1.0 CA D:ARG107 4.8 17.4 1.0 CA D:ALA189 5.0 18.0 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.