Nickel in PDB 1r0j: Nickel-Substituted Rubredoxin

The structure of Nickel-Substituted Rubredoxin, PDB code: 1r0j was solved by M.Maher, M.Cross, M.C.J.Wilce, J.M.Guss, A.G.Wedd, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	64.331, 64.331, 32.120, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 24.2

The binding sites of Nickel atom in the Nickel-Substituted Rubredoxin (pdb code 1r0j). 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 Nickel-Substituted Rubredoxin, PDB code: 1r0j:

Nickel binding site 1 out of 1 in the Nickel-Substituted Rubredoxin


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Nickel-Substituted Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni101 b:38.4 occ:1.00 SG A:CYS42 2.1 29.2 1.0 SG A:CYS6 2.3 24.9 1.0 SG A:CYS9 2.4 29.6 1.0 SG A:CYS39 2.5 29.3 1.0 CB A:CYS6 3.0 24.9 1.0 CB A:CYS9 3.3 28.0 1.0 CB A:CYS39 3.3 30.2 1.0 CB A:CYS42 3.5 30.4 1.0 N A:CYS9 3.9 26.9 1.0 N A:CYS42 4.0 30.6 1.0 CA A:CYS9 4.1 27.9 1.0 CB A:TYR11 4.2 25.7 1.0 CA A:CYS42 4.2 29.8 1.0 CG2 A:VAL44 4.3 25.9 1.0 CA A:CYS6 4.5 25.1 1.0 C A:CYS9 4.6 27.6 1.0 N A:GLY10 4.7 27.3 1.0 N A:TYR11 4.7 26.2 1.0 CA A:CYS39 4.8 30.6 1.0 O A:CYS6 4.8 25.8 1.0 CG1 A:VAL8 4.8 26.8 1.0 CZ A:PHE49 4.9 25.0 1.0 C A:CYS6 4.9 25.4 1.0 CB A:VAL8 4.9 26.9 1.0 C A:VAL8 4.9 27.1 1.0 CB A:LEU41 4.9 31.4 0.5 C A:CYS42 4.9 29.4 1.0 N A:GLY43 4.9 28.2 1.0 CB A:LEU41 5.0 31.2 0.5

M.Maher, M.Cross, M.C.Wilce, J.M.Guss, A.G.Wedd. Metal-Substituted Derivatives of the Rubredoxin From Clostridium Pasteurianum. Acta Crystallogr.,Sect.D V. 60 298 2004.
ISSN: ISSN 0907-4449
PubMed: 14747706
DOI: 10.1107/S090744490302794X