Chlorine in PDB 3mc1: Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum

The structure of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum, PDB code: 3mc1 was solved by S.Eswaramoorthy, S.K.Burley, S.Swaminathan, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.938, 53.524, 64.182, 90.00, 97.10, 90.00
R / Rfree (%)	22.4 / 27.2

The structure of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum (pdb code 3mc1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum, PDB code: 3mc1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum


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 Predicted Phosphatase From Clostridium Acetobutylicum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:20.5 occ:1.00 OH A:TYR71 3.2 13.3 1.0 NZ A:LYS109 3.2 12.8 1.0 O A:HOH234 3.2 15.1 1.0 O3 A:GOL303 3.3 28.6 1.0 C3 A:GOL303 3.3 30.8 1.0 CE2 A:TYR71 3.6 12.2 1.0 CE A:LYS109 3.7 16.3 1.0 CG A:LYS109 3.8 14.0 1.0 CE2 A:PHE75 3.8 13.1 1.0 CZ A:TYR71 3.8 14.0 1.0 CZ A:PHE75 3.9 12.2 1.0 CD A:PRO110 3.9 13.3 1.0 CD2 A:PHE75 4.1 12.4 1.0 CD2 A:PHE113 4.2 14.8 1.0 CE1 A:PHE75 4.3 15.8 1.0 CD A:LYS109 4.4 10.7 1.0 CG A:PHE75 4.5 12.5 1.0 CD1 A:PHE75 4.6 12.1 1.0 CE2 A:PHE113 4.7 14.7 1.0 C2 A:GOL303 4.7 32.4 1.0 CB A:LYS109 4.8 12.5 1.0 CD2 A:TYR71 4.8 12.4 1.0 CD1 A:LEU49 4.8 19.0 1.0 CG A:PRO110 4.9 14.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum


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 Predicted Phosphatase From Clostridium Acetobutylicum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:27.3 occ:1.00 N B:PHE125 3.4 20.8 1.0 N B:ALA124 3.5 21.5 1.0 CB B:ALA124 3.5 20.1 1.0 CA B:LYS122 3.6 26.0 1.0 C B:LYS122 3.6 25.4 1.0 CD2 B:PHE125 3.7 30.7 1.0 N B:LEU123 3.8 23.5 1.0 CA B:ALA124 3.8 20.1 1.0 O B:LYS122 4.0 25.1 1.0 CA B:GLU119 4.1 24.3 1.0 C B:ALA124 4.1 20.5 1.0 CB B:PHE125 4.1 26.4 1.0 O B:LEU118 4.2 20.3 1.0 C B:LEU123 4.2 21.7 1.0 CA B:PHE125 4.3 23.8 1.0 O B:GLU119 4.3 24.9 1.0 CG B:PHE125 4.4 29.7 1.0 CE B:LYS122 4.5 37.4 1.0 N B:LYS122 4.5 26.0 1.0 CG B:GLU119 4.5 28.8 1.0 CA B:LEU123 4.5 23.0 1.0 CB B:LYS122 4.5 28.4 1.0 NZ B:LYS122 4.6 39.3 1.0 C B:GLU119 4.7 25.2 1.0 CB B:GLU119 4.7 24.5 1.0 CE2 B:PHE125 4.8 31.2 1.0 CD B:LYS122 4.9 35.2 1.0 N B:GLU119 4.9 22.8 1.0 C B:LEU118 4.9 21.7 1.0

S.Eswaramoorthy, S.K.Burley, S.Swaminathan. Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum To Be Published 2010.