Iodine in PDB 7k7v: The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative

The structure of The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative, PDB code: 7k7v was solved by T.S.Peat, J.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.29 / 1.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.157, 67.496, 67.534, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.4

The structure of The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iodine atom in the The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative (pdb code 7k7v). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative, PDB code: 7k7v:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:I206 b:24.9 occ:0.70 O A:HOH311 3.3 28.1 1.0 OG1 A:THR120 3.6 20.2 1.0 N A:HIS110 3.6 18.6 1.0 O A:HOH304 3.7 28.3 1.0 CA A:HIS110 3.8 18.0 1.0 O A:HIS122 3.9 18.0 1.0 CB A:ASP149 4.0 32.2 1.0 CB A:THR120 4.0 20.5 1.0 N A:HIS122 4.1 18.0 1.0 CA A:GLY145 4.1 23.2 1.0 CD2 A:HIS110 4.1 24.9 1.0 C A:THR120 4.1 22.7 1.0 N A:MET121 4.1 21.2 1.0 O A:ASP149 4.2 28.6 1.0 O A:THR120 4.2 21.6 1.0 C A:ASP149 4.3 27.2 1.0 C A:MET121 4.4 20.1 1.0 C A:HIS122 4.5 18.1 1.0 N A:SER150 4.5 26.9 1.0 CA A:MET121 4.5 22.2 1.0 N A:GLY111 4.5 16.4 1.0 CA A:SER150 4.6 26.3 1.0 CG2 A:VAL123 4.6 21.2 1.0 C A:HIS110 4.7 17.2 1.0 CA A:THR120 4.7 20.2 1.0 CG A:HIS110 4.7 24.8 1.0 C A:LYS109 4.7 19.4 1.0 O A:SER146 4.8 28.5 1.0 CA A:ASP149 4.8 30.9 1.0 C A:GLY145 4.9 24.9 1.0 CB A:HIS110 4.9 20.1 1.0 CA A:HIS122 4.9 19.0 1.0 N A:SER146 4.9 25.5 1.0 N A:GLY145 4.9 23.2 1.0 NE2 A:HIS110 5.0 27.7 1.0

Iodine binding site 2 out of 2 in the The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:I207 b:31.4 occ:0.70 N A:GLN144 3.8 21.5 1.0 CB A:PHE143 3.9 21.6 1.0 CB A:ASP66 3.9 25.1 1.0 N A:GLY67 4.1 18.0 1.0 CA A:PHE143 4.1 19.9 1.0 O A:HOH345 4.2 33.2 1.0 C A:ASP66 4.2 21.5 1.0 CA A:PRO33 4.2 26.8 1.0 CB A:GLN144 4.2 31.4 1.0 CA A:GLY67 4.4 17.9 1.0 C A:PHE143 4.5 21.2 1.0 CA A:ASP66 4.6 23.5 1.0 O A:ALA32 4.6 17.7 1.0 CB A:PRO33 4.7 28.7 1.0 CA A:GLN144 4.7 26.8 1.0 O A:ASP66 4.7 19.7 1.0 CG A:ASP66 4.8 30.9 1.0 N A:PRO33 4.9 24.1 1.0

J.Newman, T.Nebl, H.Van, T.S.Peat. The X-Ray Crystal Structure of the N-Terminal Domain of SSR4, A Schizosaccharomyces Pombe Chromatin-Remodelling Protein. Acta Crystallogr.,Sect.F V. 76 583 2020.
ISSN: ESSN 2053-230X
PubMed: 33263569
DOI: 10.1107/S2053230X20015216