Nickel in PDB 3tj8: Crystal Structure of Helicobacter Pylori Uree Bound to NI2+

The structure of Crystal Structure of Helicobacter Pylori Uree Bound to NI2+, PDB code: 3tj8 was solved by K.Banaszak, M.Bellucci, B.Zambelli, W.R.Rypniewski, S.Ciurli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.57 / 1.59
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	67.552, 117.145, 98.665, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.1

The binding sites of Nickel atom in the Crystal Structure of Helicobacter Pylori Uree Bound to NI2+ (pdb code 3tj8). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of Helicobacter Pylori Uree Bound to NI2+, PDB code: 3tj8:

Nickel binding site 1 out of 1 in the Crystal Structure of Helicobacter Pylori Uree Bound to NI2+


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Helicobacter Pylori Uree Bound to NI2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni171 b:28.6 occ:1.00 NE2 B:HIS152 1.9 41.3 1.0 NE2 A:HIS102 2.1 22.1 1.0 O B:HOH249 2.1 26.7 1.0 NE2 B:HIS102 2.2 25.4 1.0 CE1 B:HIS152 2.7 56.1 1.0 CE1 A:HIS102 3.0 27.7 1.0 CD2 B:HIS102 3.1 31.9 1.0 CE1 B:HIS102 3.1 30.0 1.0 CD2 A:HIS102 3.1 26.8 1.0 CD2 B:HIS152 3.1 54.8 1.0 ND1 B:HIS152 3.9 57.5 1.0 CG B:HIS152 4.1 54.9 1.0 ND1 A:HIS102 4.2 26.4 1.0 ND1 B:HIS102 4.2 28.1 1.0 CG A:HIS102 4.2 25.3 1.0 CG B:HIS102 4.2 28.5 1.0 O B:ASN100 4.9 28.2 1.0

K.Banaszak, V.Martin-Diaconescu, M.Bellucci, B.Zambelli, W.Rypniewski, M.J.Maroney, S.Ciurli. Crystallographic and X-Ray Absorption Spectroscopic Characterization of Helicobacter Pylori Uree Bound to NI2+ and ZN2+ Reveals A Role For the Disordered C-Terminal Arm in Metal Trafficking. Biochem.J. V. 441 1017 2012.
ISSN: ISSN 0264-6021
PubMed: 22010876
DOI: 10.1042/BJ20111659