Nickel in PDB 3eyy: Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition

The structure of Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition, PDB code: 3eyy was solved by S.-S.Cha, Y.J.An, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.79 / 2.40
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	79.164, 79.164, 49.732, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 26.4

The structure of Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition also contains other interesting chemical elements:

Chlorine	(Cl)	5 atoms
Zinc	(Zn)	2 atoms

The binding sites of Nickel atom in the Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition (pdb code 3eyy). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition, PDB code: 3eyy:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni146 b:60.9 occ:1.00 NE2 A:HIS70 2.1 39.8 1.0 NE2 A:HIS126 2.1 45.0 1.0 NE2 A:HIS72 2.1 39.0 1.0 O8 A:MLI153 2.1 55.5 1.0 O6 A:MLI153 2.2 59.6 1.0 O2 A:EDO151 2.4 65.5 1.0 CE1 A:HIS126 2.9 43.0 1.0 CE1 A:HIS72 3.0 34.6 1.0 CD2 A:HIS70 3.0 40.5 1.0 CE1 A:HIS70 3.0 39.6 1.0 C2 A:MLI153 3.1 58.0 1.0 C3 A:MLI153 3.1 56.6 1.0 CD2 A:HIS126 3.1 44.5 1.0 CD2 A:HIS72 3.1 35.4 1.0 C2 A:EDO151 3.3 69.8 1.0 C1 A:MLI153 3.6 58.5 1.0 ND1 A:HIS126 4.0 43.3 1.0 ND1 A:HIS72 4.1 37.3 1.0 ND1 A:HIS70 4.2 40.0 1.0 CG A:HIS126 4.2 43.0 1.0 CG A:HIS70 4.2 40.0 1.0 ND1 B:HIS75 4.2 45.9 1.0 CG A:HIS72 4.2 37.0 1.0 O7 A:MLI153 4.3 60.4 1.0 O9 A:MLI153 4.3 54.9 1.0 CA B:HIS75 4.5 43.0 1.0 C1 A:EDO151 4.5 68.6 1.0 CE1 A:PHE127 4.9 37.9 1.0 CE1 B:HIS75 4.9 44.5 1.0

Nickel binding site 2 out of 2 in the Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structural Basis For the Specialization of Nur, A Nickel- Specific Fur Homologue, in Metal Sensing and Dna Recognition within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni146 b:55.5 occ:1.00 O8 B:MLI152 2.0 47.0 1.0 NE2 B:HIS72 2.1 36.5 1.0 NE2 B:HIS70 2.1 37.3 1.0 NE2 B:HIS126 2.1 43.1 1.0 O6 B:MLI152 2.1 41.3 1.0 O2 B:EDO150 2.4 50.8 1.0 CE1 B:HIS126 2.9 41.2 1.0 C3 B:MLI152 3.0 46.3 1.0 CE1 B:HIS72 3.0 33.3 1.0 C2 B:MLI152 3.1 44.2 1.0 CE1 B:HIS70 3.1 37.2 1.0 CD2 B:HIS70 3.1 37.8 1.0 CD2 B:HIS72 3.2 34.8 1.0 CD2 B:HIS126 3.2 42.6 1.0 C2 B:EDO150 3.3 57.5 1.0 C1 B:MLI152 3.5 46.8 1.0 ND1 B:HIS126 4.1 42.2 1.0 C1 B:EDO150 4.1 58.5 1.0 ND1 B:HIS72 4.1 35.2 1.0 ND1 A:HIS75 4.2 44.3 1.0 O9 B:MLI152 4.2 50.5 1.0 ND1 B:HIS70 4.2 38.7 1.0 CG B:HIS126 4.2 40.6 1.0 CG B:HIS70 4.2 37.6 1.0 CG B:HIS72 4.3 35.6 1.0 O7 B:MLI152 4.3 42.4 1.0 CA A:HIS75 4.4 42.6 1.0 CE1 A:HIS75 4.9 43.3 1.0 CE1 B:PHE127 4.9 41.1 1.0 N A:HIS75 5.0 41.3 1.0

Y.J.An, B.-E.Ahn, A.-R.Han, H.-M.Kim, K.M.Chung, J.-H.Shin, Y.-B.Cho, J.-H.Roe, S.-S.Cha. Structural Basis For the Specialization of Nur, A Nickel-Specific Fur Homolog, in Metal Sensing and Dna Recognition Nucleic Acids Res. V. 37 3442 2009.
ISSN: ISSN 0305-1048
PubMed: 19336416
DOI: 10.1093/NAR/GKP198