Nickel in PDB 3imp: New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256)

The structure of New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256), PDB code: 3imp was solved by A.Roujeinikova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	107.560, 100.336, 108.490, 90.00, 119.51, 90.00
R / Rfree (%)	18.6 / 24.9

The structure of New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256) also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Nickel atom in the New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256) (pdb code 3imp). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256), PDB code: 3imp:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256) within 5.0Å range: probe atom residue distance (Å) B Occ G:Ni1 b:39.2 occ:1.00 ND1 G:HIS176 2.2 38.4 1.0 O E:HOH72 2.3 36.3 1.0 CL G:CL71 2.8 56.8 1.0 O E:HOH68 2.9 35.8 1.0 CL G:CL83 3.0 52.4 1.0 CE1 G:HIS176 3.1 37.0 1.0 CG G:HIS176 3.2 38.0 1.0 CB G:HIS176 3.5 36.1 1.0 N G:HIS176 4.0 40.0 1.0 NE2 G:HIS176 4.2 37.5 1.0 CD2 G:HIS176 4.3 37.2 1.0 CA G:HIS176 4.4 37.1 1.0 O G:HOH298 4.5 45.8 1.0 OG G:SER208 4.6 34.6 1.0

Nickel binding site 2 out of 2 in the New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256) within 5.0Å range: probe atom residue distance (Å) B Occ K:Ni2 b:37.5 occ:1.00 ND1 K:HIS176 2.3 35.3 1.0 O C:HOH110 2.5 29.4 1.0 CL K:CL95 2.6 53.3 1.0 CL K:CL12 2.7 54.4 1.0 O C:HOH32 2.9 37.3 1.0 CE1 K:HIS176 3.2 34.1 1.0 CG K:HIS176 3.3 34.1 1.0 CB K:HIS176 3.7 34.8 1.0 N K:HIS176 4.1 38.4 1.0 NE2 K:HIS176 4.3 32.2 1.0 CD2 K:HIS176 4.4 32.5 1.0 CA K:HIS176 4.5 35.8 1.0 O K:HOH8 4.6 46.6 1.0 OG K:SER208 4.6 37.4 1.0 O C:ASP216 5.0 49.5 1.0

C.F.Reboul, D.A.Andrews, M.F.Nahar, A.M.Buckle, A.Roujeinikova. Crystallographic and Molecular Dynamics Analysis of Loop Motions Unmasking the Peptidoglycan-Binding Site in Stator Protein Motb of Flagellar Motor Plos One V. 6 E1898 2011.
ISSN: ESSN 1932-6203
PubMed: 21533052
DOI: 10.1371/JOURNAL.PONE.0018981