Chlorine 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:

Iodine

(I)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The X-Ray Crystal Structure of SSR4, An S. Pombe Chromatin Remodelling Protein: Iodide Derivative, PDB code: 7k7v:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl202 b:31.0 occ:1.00 O A:GLN8 3.8 20.6 1.0 CG A:GLN8 3.8 29.5 1.0 NE2 A:GLN8 3.9 42.9 1.0 CB A:SER12 4.1 23.9 1.0 CA A:SER9 4.1 17.5 0.7 C A:GLN8 4.1 20.5 1.0 CA A:SER9 4.2 18.0 0.3 N A:SER9 4.3 18.5 0.3 N A:SER9 4.3 17.7 0.7 CD A:GLN8 4.4 36.6 1.0 OG A:SER12 4.4 27.7 1.0 O A:HOH318 4.4 36.8 1.0 OG A:SER9 4.6 17.8 0.3 CB A:GLN8 4.7 23.8 1.0 CB A:SER9 4.9 17.1 0.7 CB A:SER9 4.9 17.7 0.3

Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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:Cl203 b:35.3 occ:1.00 O A:HOH364 2.9 35.2 1.0 N A:ASP135 3.2 17.6 1.0 N A:ASN136 3.3 14.3 1.0 O A:HOH358 3.5 21.0 1.0 OD1 A:ASN136 3.7 20.9 1.0 C A:PHE134 3.7 17.5 1.0 CE1 A:PHE137 3.8 15.3 1.0 CD1 A:PHE137 3.9 14.9 1.0 CB A:ASN136 3.9 16.0 1.0 CA A:PHE134 4.0 18.4 1.0 CG A:ASN136 4.0 18.3 1.0 CA A:ASP135 4.1 18.1 1.0 CA A:ASN136 4.1 13.9 1.0 C A:ASP135 4.1 14.7 1.0 O A:HOH341 4.2 37.7 1.0 O A:GLY133 4.3 24.5 1.0 N A:PHE134 4.4 20.6 1.0 CB A:ASP135 4.5 20.1 1.0 O A:PHE134 4.5 16.6 1.0 C A:GLY133 4.6 25.6 1.0 C A:ASN136 4.8 13.0 1.0 ND2 A:ASN136 4.9 15.6 1.0 O A:HOH374 4.9 44.3 1.0 N A:PHE137 4.9 12.4 1.0

Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl204 b:51.3 occ:0.90 CA A:PRO160 3.8 28.9 1.0 CB A:PRO160 3.9 33.0 1.0 CD A:LYS159 4.1 52.9 1.0 N A:PRO160 4.2 25.6 1.0 CB A:LYS159 4.4 36.1 1.0 C A:LYS159 4.7 24.4 1.0 CD A:PRO160 4.7 29.7 1.0 CA A:LYS159 4.7 26.4 1.0 CG A:LYS159 4.8 43.1 1.0 CD A:PRO161 4.9 37.1 1.0 CG A:PRO160 4.9 34.8 1.0 CE A:LYS159 4.9 57.6 1.0

Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl205 b:59.2 occ:0.90 N A:ASN90 3.4 24.4 1.0 CB A:SER89 3.7 27.7 1.0 ND2 A:ASN90 3.8 36.0 1.0 CB A:ASN90 4.0 30.3 1.0 CA A:SER89 4.0 24.0 1.0 CG A:ASN90 4.2 31.9 1.0 C A:SER89 4.3 25.9 1.0 CA A:ASN90 4.3 28.3 1.0 O A:ASN90 4.9 21.1 1.0 OG A:SER89 4.9 32.1 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