Chlorine in PDB 3n73: Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus

The structure of Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus, PDB code: 3n73 was solved by R.Cabello, M.Chruszcz, X.Xu, M.D.Zimmerman, H.Cui, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.07
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.066, 166.644, 37.279, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 22.1

The binding sites of Chlorine atom in the Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus (pdb code 3n73). 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 A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus, PDB code: 3n73:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus


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 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl252 b:32.3 occ:1.00 O A:HOH354 2.8 38.8 1.0 N A:LYS167 3.2 29.7 1.0 C A:GLY193 3.3 25.0 1.0 NZ A:LYS167 3.4 41.1 1.0 CA A:GLY193 3.4 24.3 1.0 CD A:LYS167 3.5 39.9 1.0 CA A:LYS167 3.5 30.4 1.0 N A:GLY194 3.5 26.0 1.0 O A:GLY193 3.7 25.2 1.0 CB A:PRO165 3.8 27.1 1.0 CE A:LYS167 4.0 42.1 1.0 CG A:LYS167 4.0 35.1 1.0 N A:MSE166 4.1 27.3 1.0 CA A:GLY194 4.2 26.4 1.0 CB A:LYS167 4.2 31.9 1.0 C A:PRO165 4.3 27.2 1.0 CA A:PRO165 4.3 26.3 1.0 C A:MSE166 4.4 29.2 1.0 C A:LYS167 4.8 30.3 1.0 CA A:MSE166 4.8 28.4 1.0 N A:GLY193 4.8 23.6 1.0 O A:HOH364 4.8 37.8 1.0 O A:PRO165 4.9 27.1 1.0 N A:GLY168 4.9 29.9 1.0 CE1 A:PHE164 5.0 29.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus


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 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl253 b:40.1 occ:1.00 O A:HOH373 3.0 30.8 1.0 NZ A:LYS162 3.1 34.4 1.0 N A:LEU70 3.3 30.4 1.0 N A:GLY73 3.5 43.6 1.0 CB A:ASN94 3.6 22.5 1.0 CG A:ASN94 3.7 23.4 1.0 N A:GLY71 3.7 37.0 1.0 CB A:LEU70 3.9 34.2 1.0 O A:HOH388 3.9 34.1 1.0 OD1 A:ASN94 4.0 26.1 1.0 ND2 A:ASN94 4.1 22.0 1.0 CA A:LEU70 4.1 32.8 1.0 CA A:GLY69 4.1 26.8 1.0 CD1 A:LEU70 4.1 33.8 1.0 CG A:LEU70 4.2 33.5 1.0 CA A:GLY73 4.2 43.5 1.0 C A:GLY69 4.2 28.6 1.0 N A:ALA72 4.3 43.8 1.0 C A:LEU70 4.4 35.2 1.0 CE A:LYS162 4.5 32.0 1.0 OH A:TYR220 4.5 33.2 1.0 C A:ALA72 4.6 46.0 1.0 CA A:ALA72 4.7 45.9 1.0 CA A:GLY71 4.7 39.6 1.0 C A:GLY71 4.8 42.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus


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 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl252 b:35.2 occ:1.00 N B:LYS167 3.3 32.2 1.0 C B:GLY193 3.3 28.3 1.0 CA B:GLY193 3.4 27.4 1.0 CA B:LYS167 3.5 33.8 1.0 N B:GLY194 3.5 28.9 1.0 CB B:PRO165 3.6 28.7 1.0 O B:GLY193 3.7 27.4 1.0 CG B:LYS167 3.7 37.6 1.0 N B:MSE166 4.2 30.2 1.0 CA B:PRO165 4.2 28.3 1.0 CB B:LYS167 4.2 35.0 1.0 C B:PRO165 4.2 29.2 1.0 CA B:GLY194 4.3 30.1 1.0 C B:MSE166 4.5 32.0 1.0 C B:LYS167 4.7 33.8 1.0 N B:GLY193 4.8 27.1 1.0 CE1 B:PHE164 4.8 30.7 1.0 CA B:MSE166 4.9 31.7 1.0 CG B:PRO165 4.9 29.9 1.0 O B:PRO165 4.9 29.9 1.0 N B:GLY168 4.9 33.3 1.0 NZ B:LYS167 5.0 45.1 1.0

R.Cabello, M.Chruszcz, X.Xu, M.D.Zimmerman, H.Cui, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor. Crystal Structure of A Putative 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus To Be Published.