Chlorine in PDB 4l82: Structure of A Putative Oxidoreductase From Rickettsia Felis

The structure of Structure of A Putative Oxidoreductase From Rickettsia Felis, PDB code: 4l82 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.79 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.580, 79.730, 155.140, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.9

The binding sites of Chlorine atom in the Structure of A Putative Oxidoreductase From Rickettsia Felis (pdb code 4l82). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of A Putative Oxidoreductase From Rickettsia Felis, PDB code: 4l82:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of A Putative Oxidoreductase From Rickettsia Felis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Putative Oxidoreductase From Rickettsia Felis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:45.3 occ:1.00 C A:SER44 3.7 19.5 1.0 O A:HOH349 3.8 26.2 1.0 N A:SER44 3.8 18.4 1.0 N A:LEU45 3.9 21.1 1.0 CE1 B:HIS130 3.9 20.0 1.0 CA A:SER44 4.0 19.4 1.0 O A:SER44 4.0 18.4 1.0 C A:VAL43 4.1 19.1 1.0 CB A:SER42 4.1 21.2 1.0 NE2 B:HIS130 4.2 19.8 1.0 O A:VAL43 4.3 20.4 1.0 CA A:LEU45 4.5 21.8 1.0 CB A:LEU45 4.5 23.2 1.0 N A:VAL43 4.5 17.9 1.0 C A:SER42 4.7 19.1 1.0 CE2 B:PHE10 4.7 22.8 1.0 ND1 B:HIS130 4.7 20.2 1.0 CA A:VAL43 4.8 18.4 1.0 O A:SER42 5.0 20.1 1.0

Chlorine binding site 2 out of 4 in the Structure of A Putative Oxidoreductase From Rickettsia Felis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Putative Oxidoreductase From Rickettsia Felis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:43.8 occ:1.00 CB A:HIS85 3.7 19.9 1.0 CD1 A:ILE97 3.8 20.1 1.0 O A:ASP81 3.9 21.1 1.0 CG A:HIS85 3.9 19.9 1.0 CA A:ILE82 4.1 20.5 1.0 C A:ASP81 4.2 21.4 1.0 N A:ILE82 4.2 20.9 1.0 OD2 A:ASP81 4.3 23.7 0.5 CG1 A:ILE82 4.3 22.8 1.0 ND1 A:HIS85 4.3 21.4 1.0 O A:HOH304 4.3 20.4 1.0 CD1 A:ILE82 4.4 23.4 1.0 CG A:ASP81 4.5 22.8 0.5 CD2 A:HIS85 4.5 19.0 1.0 O A:HOH380 4.6 36.6 1.0 CB A:ASP81 4.7 23.6 0.5 CB A:ASP81 4.8 23.9 0.5 CB A:ILE82 4.9 21.3 1.0 O A:HOH348 5.0 28.1 1.0

Chlorine binding site 3 out of 4 in the Structure of A Putative Oxidoreductase From Rickettsia Felis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Putative Oxidoreductase From Rickettsia Felis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:41.1 occ:1.00 O B:HOH343 3.6 36.2 1.0 C B:SER44 3.6 18.7 1.0 N B:SER44 3.6 17.4 1.0 CA B:SER44 3.8 18.5 1.0 C B:VAL43 3.8 17.8 1.0 O B:SER44 3.8 18.3 1.0 N B:LEU45 3.9 20.1 1.0 CE1 A:HIS130 3.9 18.3 1.0 NE2 A:HIS130 4.0 17.1 1.0 O B:VAL43 4.1 19.0 1.0 CB B:SER42 4.1 18.2 1.0 N B:VAL43 4.3 16.3 1.0 O A:HOH379 4.4 27.5 1.0 CE2 A:PHE10 4.4 20.0 1.0 C B:SER42 4.5 16.8 1.0 CA B:LEU45 4.5 21.2 1.0 CA B:VAL43 4.6 16.7 1.0 CB B:LEU45 4.6 22.3 1.0 ND1 A:HIS130 4.6 18.1 1.0 CD2 A:HIS130 4.8 16.6 1.0 O B:SER42 4.8 16.9 1.0 CZ A:PHE10 4.9 19.5 1.0 CA B:SER42 4.9 17.1 1.0

Chlorine binding site 4 out of 4 in the Structure of A Putative Oxidoreductase From Rickettsia Felis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of A Putative Oxidoreductase From Rickettsia Felis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:44.2 occ:1.00 O D:HOH320 3.6 28.3 1.0 N D:SER44 3.7 20.0 1.0 C D:SER44 3.7 20.8 1.0 C D:VAL43 3.8 20.4 1.0 CE1 C:HIS130 3.8 20.2 1.0 O D:VAL43 3.9 20.4 1.0 CA D:SER44 3.9 20.4 1.0 O D:HOH356 3.9 38.0 1.0 O D:SER44 3.9 20.9 1.0 N D:LEU45 4.0 22.2 1.0 CB D:SER42 4.0 21.9 1.0 NE2 C:HIS130 4.0 19.3 1.0 N D:VAL43 4.2 20.7 1.0 C D:SER42 4.4 20.4 1.0 O C:HOH386 4.5 35.0 1.0 CA D:VAL43 4.5 20.4 1.0 ND1 C:HIS130 4.6 20.1 1.0 CE2 C:PHE10 4.6 25.4 1.0 CA D:LEU45 4.6 23.3 1.0 CB D:LEU45 4.7 25.1 1.0 O D:SER42 4.7 21.6 1.0 CA D:SER42 4.8 20.8 1.0 CD2 C:HIS130 4.9 18.8 1.0 OG D:SER42 5.0 22.9 1.0 CZ C:PHE10 5.0 25.4 1.0

M.C.Clifton, J.A.Abendroth. Structure of A Putative Oxidoreductase From Rickettsia Felis To Be Published.