Chlorine in PDB 3bbj: Crystal Structure of A Putative Thioesterase II (TFU_2367) From Thermobifida Fusca Yx at 2.45 A Resolution

The structure of Crystal Structure of A Putative Thioesterase II (TFU_2367) From Thermobifida Fusca Yx at 2.45 A Resolution, PDB code: 3bbj 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)	48.39 / 2.16
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.818, 103.654, 54.734, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 24.3

The binding sites of Chlorine atom in the Crystal Structure of A Putative Thioesterase II (TFU_2367) From Thermobifida Fusca Yx at 2.45 A Resolution (pdb code 3bbj). 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 II (TFU_2367) From Thermobifida Fusca Yx at 2.45 A Resolution, PDB code: 3bbj:
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 II (TFU_2367) From Thermobifida Fusca Yx at 2.45 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 II (TFU_2367) From Thermobifida Fusca Yx at 2.45 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl273 b:74.1 occ:1.00 N A:ARG82 3.5 58.0 1.0 NH2 B:ARG66 3.6 57.0 1.0 CA A:LYS81 3.9 55.1 1.0 C A:LYS81 4.2 56.1 1.0 CB A:ARG82 4.2 61.4 1.0 CD A:LYS81 4.3 57.5 1.0 O A:ARG82 4.3 58.4 1.0 CA A:ARG82 4.4 61.0 1.0 CG A:LYS81 4.5 55.2 1.0 O A:LEU80 4.6 54.4 1.0 N A:LYS81 4.7 55.0 1.0 CB A:LYS81 4.8 56.3 1.0 CZ B:ARG66 4.8 56.7 1.0 O4 B:SO4273 4.8 60.8 0.5 C A:ARG82 4.9 58.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Thioesterase II (TFU_2367) From Thermobifida Fusca Yx at 2.45 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 II (TFU_2367) From Thermobifida Fusca Yx at 2.45 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl274 b:81.5 occ:1.00 O A:ILE31 3.4 54.2 1.0 N A:THR33 3.6 53.8 1.0 CA A:GLY32 3.8 52.5 1.0 N A:ALA34 3.9 51.9 1.0 C A:ILE31 4.0 52.4 1.0 C A:GLY32 4.1 52.9 1.0 CG1 A:ILE31 4.2 55.1 1.0 OG1 A:THR33 4.2 49.7 1.0 N A:GLY32 4.2 53.1 1.0 CH2 A:TRP213 4.2 52.4 0.5 CZ3 A:TRP213 4.3 52.6 0.5 CB A:ALA34 4.3 47.5 1.0 CH2 A:TRP213 4.3 40.7 0.5 CZ3 A:TRP213 4.5 45.1 0.5 CA A:THR33 4.6 53.2 1.0 CD1 A:ILE31 4.6 51.8 1.0 CZ2 A:TRP213 4.6 43.2 0.5 CA A:ALA34 4.6 50.2 1.0 C A:THR33 4.7 53.5 1.0 CZ2 A:TRP213 4.7 51.2 0.5 CE3 A:TRP213 4.8 53.8 0.5 O A:ALA34 4.8 48.0 1.0 CE3 A:TRP213 4.9 45.1 0.5 CE2 A:TRP213 5.0 43.3 0.5

Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Thioesterase II (TFU_2367) From Thermobifida Fusca Yx at 2.45 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 II (TFU_2367) From Thermobifida Fusca Yx at 2.45 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl275 b:89.7 occ:1.00 C2 A:EDO276 3.2 78.0 1.0 C1 A:EDO276 3.4 78.5 1.0 NZ A:LYS81 3.5 53.2 1.0 O1 A:EDO276 3.6 72.3 1.0 N A:ARG84 3.6 55.9 1.0 CA A:GLY83 3.7 57.0 1.0 C A:GLY83 4.2 56.3 1.0 O2 A:EDO276 4.5 74.2 1.0 CB A:ARG84 4.6 55.2 1.0 CA A:ARG84 4.7 56.3 1.0 O A:ARG82 4.7 58.4 1.0 CE A:LYS81 5.0 55.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Thioesterase II (TFU_2367) From Thermobifida Fusca Yx at 2.45 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 II (TFU_2367) From Thermobifida Fusca Yx at 2.45 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl274 b:77.0 occ:1.00 N B:ARG82 3.6 58.2 1.0 NH2 A:ARG66 4.0 55.7 1.0 CA B:LYS81 4.1 55.0 1.0 CB B:ARG82 4.3 61.7 1.0 C B:LYS81 4.3 56.1 1.0 CD B:LYS81 4.5 58.1 1.0 CA B:ARG82 4.5 61.0 1.0 O B:LEU80 4.5 54.3 1.0 O B:ARG82 4.5 58.2 1.0 O3 A:SO4272 4.6 58.9 0.5 N B:LYS81 4.8 55.1 1.0 C B:LEU80 5.0 55.5 1.0

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