Nickel 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:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Nickel 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 Nickel atom.
In total 2 binding sites of Nickel 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 Nickel binding site number: 1; 2;

Nickel 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 Nickel with other atoms in the Ni 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:Ni109 b:15.7 occ:1.00 N B:TRS109 2.1 15.3 1.0 NE2 A:HIS31 2.1 15.5 1.0 NE2 A:HIS100 2.1 17.5 1.0 O B:HOH119 2.1 18.0 1.0 O1 B:TRS109 2.1 14.5 1.0 O2 B:TRS109 2.2 14.0 1.0 C B:TRS109 2.8 14.5 1.0 C1 B:TRS109 2.9 14.6 1.0 C2 B:TRS109 3.0 15.0 1.0 CE1 A:HIS31 3.0 15.9 1.0 CE1 A:HIS100 3.0 18.5 1.0 CD2 A:HIS100 3.1 18.6 1.0 CD2 A:HIS31 3.1 14.6 1.0 OD2 B:ASP9 3.9 16.2 1.0 O A:HOH157 4.0 27.1 1.0 OD1 B:ASP9 4.0 14.4 1.0 ND1 A:HIS31 4.1 15.9 1.0 ND1 A:HIS100 4.2 19.9 1.0 CG A:HIS100 4.2 20.1 1.0 CG A:HIS31 4.2 14.6 1.0 C3 B:TRS109 4.2 15.9 1.0 CG B:ASP9 4.2 13.2 1.0 OE2 A:GLU78 4.7 31.4 1.0 O3 B:TRS109 4.8 17.9 1.0 O A:HOH131 4.9 45.0 1.0

Nickel 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 Nickel with other atoms in the Ni 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:Ni111 b:12.1 occ:1.00 NE2 B:HIS31 2.0 10.4 1.0 NE2 B:HIS100 2.1 12.2 1.0 N B:TRS108 2.1 12.2 1.0 O3 B:TRS108 2.1 11.8 1.0 O B:HOH130 2.2 13.0 1.0 O1 B:TRS108 2.2 12.1 1.0 C B:TRS108 2.8 11.3 1.0 C3 B:TRS108 3.0 12.9 1.0 C1 B:TRS108 3.0 12.4 1.0 CE1 B:HIS31 3.0 11.1 1.0 CE1 B:HIS100 3.0 12.1 1.0 CD2 B:HIS31 3.1 12.0 1.0 CD2 B:HIS100 3.1 12.9 1.0 O B:HOH117 4.0 18.4 1.0 ND1 B:HIS31 4.1 12.7 1.0 ND1 B:HIS100 4.2 14.6 1.0 CG B:HIS31 4.2 11.4 1.0 CG B:HIS100 4.2 14.3 1.0 C2 B:TRS108 4.3 12.9 1.0 OE2 B:GLU78 4.5 29.2 1.0 O B:HOH147 4.6 38.2 1.0 O2 B:TRS108 4.8 14.9 1.0 CD B:GLU78 4.8 24.6 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.