Chlorine in PDB 3e82: Crystal Structure of A Putative Oxidoreductase From Klebsiella Pneumoniae

The structure of Crystal Structure of A Putative Oxidoreductase From Klebsiella Pneumoniae, PDB code: 3e82 was solved by S.Eswaramoorthy, M.B.Mohammad, C.A.Thomas, A.C.Brown, S.K.Burley, S.Swaminathan, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.87 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.910, 79.750, 209.144, 90.00, 94.00, 90.00
R / Rfree (%)	20.9 / 23.2

The binding sites of Chlorine atom in the Crystal Structure of A Putative Oxidoreductase From Klebsiella Pneumoniae (pdb code 3e82). 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 Oxidoreductase From Klebsiella Pneumoniae, PDB code: 3e82:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Putative Oxidoreductase From Klebsiella Pneumoniae


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 Oxidoreductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:24.2 occ:1.00 ND1 A:HIS191 2.9 35.8 1.0 ND1 A:HIS133 3.1 19.9 1.0 O A:HOH393 3.2 19.8 1.0 NZ A:LYS106 3.4 23.8 1.0 CE A:LYS106 3.6 23.6 1.0 CA A:HIS191 3.6 20.6 1.0 CA A:HIS133 3.6 19.2 1.0 N A:HIS191 3.7 18.8 1.0 CE1 A:HIS191 3.7 35.1 1.0 CD A:LYS106 3.8 23.6 1.0 C A:PRO190 3.9 19.9 1.0 O A:PRO190 4.0 18.3 1.0 CG A:HIS191 4.0 33.3 1.0 CG A:ARG135 4.0 24.6 1.0 CG A:HIS133 4.0 20.4 1.0 CE1 A:HIS133 4.1 20.5 1.0 CB A:HIS133 4.1 18.5 1.0 O A:PHE132 4.2 19.7 1.0 N A:ASN134 4.2 21.1 1.0 O A:HOH404 4.2 38.2 1.0 CB A:HIS191 4.3 26.3 1.0 CB A:PRO190 4.3 20.9 1.0 C A:HIS133 4.3 20.5 1.0 OD1 A:ASN134 4.4 26.5 1.0 CB A:ASP194 4.7 16.4 1.0 CB A:ARG135 4.7 21.4 1.0 CA A:PRO190 4.7 18.9 1.0 N A:ARG135 4.7 20.4 1.0 N A:HIS133 4.7 17.2 1.0 C A:HIS191 4.9 19.9 1.0 C A:PHE132 4.9 18.8 1.0 OD2 A:ASP194 4.9 20.7 1.0 NE2 A:HIS191 4.9 34.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Oxidoreductase From Klebsiella Pneumoniae


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 Oxidoreductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:29.5 occ:1.00 O B:HOH425 3.0 25.0 1.0 ND1 B:HIS133 3.1 19.3 1.0 NZ B:LYS106 3.1 25.6 1.0 CB B:HIS191 3.4 21.3 1.0 CA B:HIS191 3.4 19.1 1.0 CE B:LYS106 3.5 22.9 1.0 CA B:HIS133 3.6 19.1 1.0 N B:HIS191 3.7 17.8 1.0 CD B:LYS106 3.8 24.8 1.0 CG B:ARG135 3.9 23.7 1.0 CG B:HIS133 4.0 19.8 1.0 CB B:HIS133 4.0 17.2 1.0 CE1 B:HIS133 4.1 20.6 1.0 C B:PRO190 4.2 17.9 1.0 N B:ASN134 4.2 19.1 1.0 C B:HIS133 4.2 18.1 1.0 O B:PRO190 4.3 18.9 1.0 OD1 B:ASN134 4.4 24.5 1.0 O B:HOH383 4.4 18.4 1.0 O B:HOH452 4.4 35.0 1.0 O B:PHE132 4.5 18.1 1.0 CB B:ARG135 4.6 21.5 1.0 N B:ARG135 4.6 20.3 1.0 O B:HOH413 4.6 35.0 1.0 CB B:ASP194 4.7 16.7 1.0 CB B:PRO190 4.7 18.8 1.0 C B:HIS191 4.8 18.9 1.0 CG B:HIS191 4.8 23.2 1.0 N B:HIS133 4.8 17.4 1.0 OD2 B:ASP194 4.9 17.4 1.0 CG B:LYS106 4.9 23.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Oxidoreductase From Klebsiella Pneumoniae


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 Oxidoreductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl3 b:37.3 occ:1.00 O D:HOH392 2.9 27.5 1.0 ND1 D:HIS133 3.1 30.1 1.0 CB D:HIS191 3.4 21.5 1.0 CA D:HIS191 3.4 21.2 1.0 NZ D:LYS106 3.5 34.1 1.0 CE D:LYS106 3.6 32.4 1.0 CA D:HIS133 3.6 24.8 1.0 CD D:LYS106 3.7 31.9 1.0 N D:HIS191 3.8 20.4 1.0 CG D:ARG135 3.8 30.2 1.0 CG D:HIS133 3.9 29.3 1.0 CB D:HIS133 3.9 27.3 1.0 CE1 D:HIS133 4.0 31.6 1.0 C D:HIS133 4.1 25.0 1.0 N D:ASN134 4.1 25.0 1.0 C D:PRO190 4.3 21.0 1.0 O D:HOH395 4.3 35.0 1.0 CB D:ARG135 4.3 27.0 1.0 OD1 D:ASN134 4.4 23.2 1.0 N D:ARG135 4.4 24.5 1.0 O D:PHE132 4.5 25.6 1.0 O D:PRO190 4.5 19.5 1.0 CB D:ASP194 4.5 23.7 1.0 O D:HOH379 4.7 20.2 1.0 OD2 D:ASP194 4.7 21.8 1.0 N D:HIS133 4.8 24.7 1.0 CG D:HIS191 4.8 23.1 1.0 C D:HIS191 4.8 20.6 1.0 CB D:PRO190 4.8 23.3 1.0 CG D:LYS106 4.9 33.3 1.0 CG D:ASP194 4.9 26.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Oxidoreductase From Klebsiella Pneumoniae


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 Oxidoreductase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl4 b:36.4 occ:1.00 O E:HOH427 2.8 33.7 1.0 ND1 E:HIS133 3.2 21.4 1.0 CB E:HIS191 3.2 25.1 1.0 CA E:HIS191 3.4 22.2 1.0 NZ E:LYS106 3.5 30.8 1.0 CA E:HIS133 3.6 20.9 1.0 CE E:LYS106 3.6 29.5 1.0 CG E:ARG135 3.8 31.1 1.0 CD E:LYS106 3.8 29.5 1.0 N E:HIS191 3.8 22.4 1.0 CB E:HIS133 4.0 21.7 1.0 CG E:HIS133 4.0 23.4 1.0 C E:HIS133 4.1 22.7 1.0 N E:ASN134 4.1 22.8 1.0 CE1 E:HIS133 4.1 22.9 1.0 OD1 E:ASN134 4.1 30.3 1.0 CB E:ARG135 4.3 26.4 1.0 O E:PHE132 4.3 20.9 1.0 N E:ARG135 4.3 25.6 1.0 C E:PRO190 4.4 22.2 1.0 CG E:HIS191 4.6 26.9 1.0 O E:PRO190 4.6 22.5 1.0 O E:HOH416 4.6 23.3 1.0 CB E:ASP194 4.7 17.4 1.0 C E:HIS191 4.7 20.7 1.0 OD2 E:ASP194 4.7 18.9 1.0 N E:HIS133 4.8 20.6 1.0 O E:HIS133 5.0 23.1 1.0 CG E:LYS106 5.0 30.5 1.0 O E:HIS191 5.0 19.9 1.0 CA E:ARG135 5.0 25.0 1.0 C E:PHE132 5.0 21.1 1.0

S.Eswaramoorthy, M.B.Mohammad, C.A.Thomas, A.C.Brown, S.K.Burley, S.Swaminathan. Crystal Structure of A Putative Oxidoreductase From Klebsiella Pneumoniae To Be Published.