Chlorine 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:

Nickel	(Ni)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 5 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 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 Chlorine with other atoms in the Cl 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:Cl148 b:88.4 occ:1.00 O B:GLY76 4.1 46.9 1.0 O A:HIS75 4.2 45.8 1.0 O A:GLY76 4.2 42.7 1.0 O B:HIS75 4.4 45.2 1.0 C B:GLY76 4.6 46.1 1.0 C A:GLY76 4.6 43.3 1.0 CA B:ALA77 4.9 45.7 1.0 N B:ALA77 4.9 45.5 1.0 N A:ALA77 4.9 42.5 1.0 CA A:ALA77 5.0 43.3 1.0

Chlorine binding site 2 out of 5 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 Chlorine with other atoms in the Cl 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 A:Cl149 b:82.9 occ:1.00 N A:SER8 3.1 57.3 1.0 O A:ASP5 3.5 70.1 1.0 CB A:SER8 3.5 55.4 1.0 C A:ASP5 3.7 70.7 1.0 CB A:LYS7 3.8 56.0 1.0 CA A:ASP5 3.8 74.5 1.0 N A:LYS7 3.9 58.2 1.0 CA A:SER8 3.9 56.0 1.0 C A:LYS7 4.0 57.4 1.0 CA A:LYS7 4.0 57.5 1.0 O A:THR4 4.1 79.8 1.0 N A:TRP6 4.6 65.8 1.0 CB A:ASP5 4.7 76.9 1.0 C A:TRP6 4.8 60.1 1.0 N A:ASP5 4.8 77.3 1.0 CG A:LYS7 4.9 55.0 1.0 C A:THR4 4.9 79.4 1.0

Chlorine binding site 3 out of 5 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl150 b:92.5 occ:1.00 O A:ASP29 2.7 44.4 1.0 CB A:GLU32 3.1 58.4 1.0 CA A:GLU32 3.2 57.4 1.0 N A:GLU32 3.3 54.6 1.0 C A:ASP29 3.8 44.6 1.0 O A:HOH185 4.2 60.0 1.0 O A:VAL28 4.2 39.8 1.0 C A:LEU31 4.3 54.1 1.0 O A:THR30 4.3 50.5 1.0 NE2 A:HIS86 4.3 66.1 1.0 C A:THR30 4.4 49.8 1.0 CA A:ASP29 4.7 43.0 1.0 N A:LEU31 4.7 51.0 1.0 C A:GLU32 4.7 58.6 1.0 OD1 A:ASP29 4.7 45.2 1.0 N A:THR30 4.7 46.1 1.0 CA A:THR30 4.9 48.8 1.0 O A:LEU31 4.9 57.6 1.0

Chlorine binding site 4 out of 5 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl148 b:83.7 occ:1.00 N B:SER8 3.3 57.0 1.0 O B:ASP5 3.5 70.8 1.0 CB B:SER8 3.6 56.4 1.0 C B:ASP5 3.7 71.1 1.0 CA B:ASP5 3.8 74.5 1.0 CB B:LYS7 3.8 55.9 1.0 N B:LYS7 3.9 58.3 1.0 O B:THR4 4.0 80.0 1.0 CA B:SER8 4.0 56.5 1.0 CA B:LYS7 4.1 57.4 1.0 C B:LYS7 4.1 57.2 1.0 N B:TRP6 4.6 65.8 1.0 CB B:ASP5 4.7 77.0 1.0 N B:ASP5 4.7 77.1 1.0 C B:THR4 4.8 79.3 1.0 C B:TRP6 4.8 59.7 1.0 CG B:LYS7 4.9 54.9 1.0

Chlorine binding site 5 out of 5 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 Chlorine with other atoms in the Cl binding site number 5 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:Cl149 b:98.3 occ:1.00 O B:ASP29 2.7 45.8 1.0 CA B:GLU32 3.1 58.1 1.0 CB B:GLU32 3.1 59.1 1.0 N B:GLU32 3.2 55.3 1.0 C B:ASP29 3.8 47.2 1.0 O B:HOH184 3.9 57.3 1.0 O B:VAL28 3.9 39.3 1.0 NE2 B:HIS86 4.1 65.8 1.0 C B:LEU31 4.2 54.2 1.0 O B:THR30 4.4 51.1 1.0 C B:THR30 4.4 50.4 1.0 CA B:ASP29 4.5 46.2 1.0 C B:GLU32 4.6 58.8 1.0 N B:LEU31 4.7 51.7 1.0 N B:THR30 4.7 48.6 1.0 OD1 B:ASP29 4.8 46.9 1.0 CD2 B:HIS86 4.9 65.0 1.0 O B:LEU31 4.9 57.2 1.0 CA B:THR30 4.9 50.1 1.0 C B:VAL28 5.0 40.0 1.0 CA B:LEU31 5.0 52.8 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