Chlorine in PDB 2caj: Nikr From Helicobacter Pylori in Closed Trans-Conformation and Nickel Bound to 4 Intermediary Sites

The structure of Nikr From Helicobacter Pylori in Closed Trans-Conformation and Nickel Bound to 4 Intermediary Sites, PDB code: 2caj was solved by C.Dian, K.Schauer, U.Kapp, S.M.Mcsweeney, A.Labigne, L.Terradot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.02 / 2.35
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.598, 71.598, 228.834, 90.00, 90.00, 120.00
R / Rfree (%)	23 / 28.2

The structure of Nikr From Helicobacter Pylori in Closed Trans-Conformation and Nickel Bound to 4 Intermediary Sites also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine atom in the Nikr From Helicobacter Pylori in Closed Trans-Conformation and Nickel Bound to 4 Intermediary Sites (pdb code 2caj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Nikr From Helicobacter Pylori in Closed Trans-Conformation and Nickel Bound to 4 Intermediary Sites, PDB code: 2caj:

Chlorine binding site 1 out of 1 in the Nikr From Helicobacter Pylori in Closed Trans-Conformation and Nickel Bound to 4 Intermediary Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nikr From Helicobacter Pylori in Closed Trans-Conformation and Nickel Bound to 4 Intermediary Sites within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1150 b:75.1 occ:1.00 ND1 B:HIS93 3.4 47.8 1.0 NI B:NI1151 3.6 55.5 0.4 NE2 B:GLN87 3.7 43.8 1.0 N B:VAL94 3.8 33.2 1.0 CA B:HIS93 4.0 37.2 1.0 CE1 B:HIS93 4.2 45.3 1.0 O B:THR92 4.2 39.6 1.0 OE1 B:GLN87 4.3 48.6 1.0 CD B:GLN87 4.4 45.3 1.0 CG B:HIS93 4.4 42.4 1.0 C B:HIS93 4.4 34.7 1.0 O B:VAL94 4.6 31.6 1.0 CB B:HIS93 4.6 38.2 1.0 CB B:VAL94 4.7 32.0 1.0 CA B:VAL94 4.7 32.1 1.0 CD2 B:HIS88 4.9 47.7 1.0 N B:HIS93 5.0 38.0 1.0 CG2 B:VAL94 5.0 33.1 1.0

C.Dian, K.Schauer, U.Kapp, S.M.Mcsweeney, A.Labigne, L.Terradot. Structural Basis of the Nickel Response in Helicobacter Pylori: Crystal Structures of Hpnikr in Apo and Nickel-Bound States. J.Mol.Biol. V. 361 715 2006.
ISSN: ISSN 0022-2836
PubMed: 16872629
DOI: 10.1016/J.JMB.2006.06.058