Chlorine 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:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the New Crystal Form of the C-Terminal Domain of Helicobacter Pylori Motb (Residues 125-256), PDB code: 3imp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl71 b:56.8 occ:1.00 NI G:NI1 2.8 39.2 1.0 O E:HOH72 2.9 36.3 1.0 OG G:SER208 2.9 34.6 1.0 N G:SER208 3.4 32.2 1.0 CB G:SER208 3.8 34.5 1.0 CB G:HIS176 3.9 36.1 1.0 CA G:GLY207 4.0 29.9 1.0 ND1 G:HIS176 4.1 38.4 1.0 C G:GLY207 4.2 31.5 1.0 CA G:SER208 4.2 33.0 1.0 CE1 G:TYR177 4.3 38.9 1.0 CL G:CL83 4.3 52.4 1.0 CG G:HIS176 4.3 38.0 1.0 CZ G:TYR177 4.5 37.8 1.0 OH G:TYR177 4.7 42.7 1.0 CD1 G:TYR177 4.7 38.5 1.0 O G:HOH298 4.8 45.8 1.0 N G:THR209 4.9 33.0 1.0 CA G:HIS176 4.9 37.1 1.0 C G:SER208 4.9 33.4 1.0

Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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 G:Cl83 b:52.4 occ:1.00 O E:HOH72 2.6 36.3 1.0 NI G:NI1 3.0 39.2 1.0 OG G:SER175 3.1 42.3 1.0 N G:HIS176 3.6 40.0 1.0 CB G:SER175 3.7 44.4 1.0 CA G:SER175 3.7 45.0 1.0 CD1 G:TYR177 4.0 38.5 1.0 CB E:SER217 4.0 55.4 1.0 C G:SER175 4.1 42.1 1.0 CE1 G:TYR177 4.3 38.9 1.0 CL G:CL71 4.3 56.8 1.0 O E:HOH68 4.4 35.8 1.0 ND1 G:HIS176 4.5 38.4 1.0 N G:TYR177 4.6 34.5 1.0 CA G:HIS176 4.7 37.1 1.0 CA E:SER217 4.7 52.9 1.0 CB G:HIS176 4.7 36.1 1.0 O G:HOH37 4.8 48.8 1.0 O G:LYS174 4.9 53.5 1.0 O E:HOH264 5.0 63.7 1.0 N G:SER175 5.0 48.5 1.0

Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl12 b:54.4 occ:1.00 O C:HOH110 2.5 29.4 1.0 NI K:NI2 2.7 37.5 1.0 N K:HIS176 3.6 38.4 1.0 CB K:SER175 3.7 44.2 1.0 CL K:CL95 3.8 53.3 1.0 CA K:SER175 3.9 44.5 1.0 OG K:SER175 3.9 43.5 1.0 CB C:SER217 4.0 56.1 1.0 O C:HOH32 4.2 37.3 1.0 ND1 K:HIS176 4.2 35.3 1.0 C K:SER175 4.2 40.9 1.0 CD1 K:TYR177 4.3 41.1 1.0 N K:TYR177 4.6 34.9 1.0 CB K:HIS176 4.6 34.8 1.0 CA K:HIS176 4.7 35.8 1.0 CE1 K:TYR177 4.7 43.0 1.0 CA C:SER217 4.8 53.4 1.0 CG K:HIS176 4.9 34.1 1.0

Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl95 b:53.3 occ:1.00 O C:HOH110 2.5 29.4 1.0 NI K:NI2 2.6 37.5 1.0 OG K:SER208 3.0 37.4 1.0 N K:SER208 3.7 34.0 1.0 CL K:CL12 3.8 54.4 1.0 CB K:SER208 3.9 36.1 1.0 CB K:HIS176 4.0 34.8 1.0 ND1 K:HIS176 4.0 35.3 1.0 O K:HOH258 4.0 41.0 1.0 CA K:GLY207 4.3 31.2 1.0 CE1 K:TYR177 4.3 43.0 1.0 CG K:HIS176 4.4 34.1 1.0 CA K:SER208 4.4 34.3 1.0 C K:GLY207 4.5 32.6 1.0 CZ K:TYR177 4.6 41.9 1.0 CD1 K:TYR177 4.7 41.1 1.0 O K:HOH8 4.8 46.6 1.0 OH K:TYR177 4.8 45.1 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