Chlorine in PDB 3iwf: The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A

The structure of The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A, PDB code: 3iwf was solved by A.J.Stein, A.Sather, M.Borovilos, M.Bargassa, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.70 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.921, 54.028, 173.044, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.5

The structure of The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A (pdb code 3iwf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A, PDB code: 3iwf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl108 b:20.7 occ:1.00 O A:HOH114 3.2 16.9 1.0 OD1 A:ASN10 3.4 15.6 1.0 CD1 A:TYR6 3.4 18.4 1.0 CE1 A:TYR6 3.5 21.7 1.0 CG A:ASN10 4.3 12.2 1.0 ND2 A:ASN10 4.4 9.4 1.0 O B:HOH174 4.4 22.1 1.0 CG A:TYR6 4.7 16.7 1.0 CZ A:TYR6 4.9 22.5 1.0 CB A:ASP9 5.0 11.2 1.0 OD2 A:ASP9 5.0 12.4 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl110 b:22.3 occ:1.00 ND1 A:HIS31 3.1 15.9 1.0 O B:HOH126 3.3 20.0 1.0 OD1 B:ASN10 3.4 17.1 1.0 CD1 B:TYR6 3.5 20.2 1.0 CE1 B:TYR6 3.5 22.2 1.0 CA A:LYS32 3.8 18.1 1.0 CB A:LYS32 3.8 19.2 1.0 N A:LYS32 3.8 16.5 1.0 CE1 A:HIS31 3.8 15.9 1.0 CG A:HIS31 4.1 14.6 1.0 CG A:LYS32 4.2 21.5 1.0 CG B:ASN10 4.3 14.1 1.0 C A:HIS31 4.4 15.6 1.0 ND2 B:ASN10 4.4 11.2 1.0 CB A:HIS31 4.4 14.8 1.0 CG B:TYR6 4.8 17.9 1.0 O A:HIS31 4.8 17.1 1.0 CZ B:TYR6 4.8 22.3 1.0 CB B:ASP9 4.9 13.4 1.0

A.J.Stein, A.Sather, M.Borovilos, M.Bargassa, A.Joachimiak. The Crystal Structure of the N-Terminal Domain of A Rpir Transcriptional Regulator From Staphylococcus Epidermidis to 1.4A To Be Published.