Chlorine in PDB 5ikf: Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1

The structure of Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1, PDB code: 5ikf was solved by C.Brugger, T.Schalch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.22 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.680, 52.850, 81.970, 90.00, 115.63, 90.00
R / Rfree (%)	19.9 / 24.7

The structure of Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1 (pdb code 5ikf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1, PDB code: 5ikf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1503 b:50.7 occ:1.00 HG A:SER1304 2.6 75.9 1.0 H A:LYS1317 2.6 70.7 1.0 HH12 A:ARG1310 2.8 84.6 1.0 HH11 A:ARG1310 3.1 84.6 1.0 NH1 A:ARG1310 3.1 70.5 1.0 HG23 A:ILE1316 3.2 68.3 1.0 OG A:SER1304 3.3 63.2 1.0 HA A:ILE1316 3.3 68.6 1.0 HB2 A:LYS1317 3.4 84.2 1.0 N A:LYS1317 3.5 58.9 1.0 HB2 A:SER1304 3.6 60.1 1.0 HG3 A:LYS1317 3.7 74.1 1.0 HD13 A:ILE1316 3.8 51.6 1.0 HD12 A:ILE1316 3.9 51.6 1.0 CB A:SER1304 3.9 50.0 1.0 HD23 A:LEU1301 4.0 51.6 1.0 CG2 A:ILE1316 4.1 56.9 1.0 CA A:ILE1316 4.1 57.2 1.0 CB A:LYS1317 4.1 70.2 1.0 HA A:SER1304 4.1 55.9 1.0 HG22 A:ILE1316 4.2 68.3 1.0 CZ A:ARG1310 4.2 72.1 1.0 C A:ILE1316 4.3 64.1 1.0 CD1 A:ILE1316 4.3 43.0 1.0 CG A:LYS1317 4.3 61.8 1.0 CA A:LYS1317 4.3 60.1 1.0 HD2 A:LYS1317 4.4 69.9 1.0 HH22 A:ARG1310 4.6 89.3 1.0 O A:LYS1317 4.6 51.4 1.0 HD3 A:ARG1310 4.6 88.8 1.0 CB A:ILE1316 4.6 56.0 1.0 HD22 A:LEU1301 4.6 51.6 1.0 CA A:SER1304 4.6 46.6 1.0 CD2 A:LEU1301 4.7 43.0 1.0 O A:GLY1315 4.7 54.0 1.0 HB3 A:SER1304 4.8 60.1 1.0 HG21 A:ILE1316 4.8 68.3 1.0 NH2 A:ARG1310 4.8 74.4 1.0 HD21 A:LEU1301 4.8 51.6 1.0 CD A:LYS1317 4.9 58.2 1.0 C A:LYS1317 4.9 50.5 1.0 HB3 A:LYS1317 5.0 84.2 1.0 H A:LEU1305 5.0 62.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the C-Terminal Domain of the MIT1 Nucleosome Remodeler in Complex with CLR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1504 b:55.3 occ:1.00 HZ3 A:LYS1373 2.1 87.2 1.0 HD1 A:PHE1370 2.8 66.2 1.0 NZ A:LYS1373 2.9 72.7 1.0 HZ1 A:LYS1373 3.3 87.2 1.0 HD3 A:LYS1373 3.3 57.9 1.0 HZ2 A:LYS1373 3.4 87.2 1.0 HB2 A:PHE1370 3.6 75.8 1.0 HE2 A:LYS1373 3.6 67.2 1.0 CE A:LYS1373 3.7 56.0 1.0 CD1 A:PHE1370 3.8 55.1 1.0 HA A:PHE1370 3.8 61.2 1.0 CD A:LYS1373 4.0 48.3 1.0 CB A:PHE1370 4.3 63.1 1.0 HD2 A:LYS1373 4.3 57.9 1.0 CA A:PHE1370 4.5 51.0 1.0 CG A:PHE1370 4.5 60.5 1.0 HE1 A:PHE1370 4.6 74.3 1.0 HE3 A:LYS1373 4.6 67.2 1.0 CE1 A:PHE1370 4.7 61.9 1.0 HB2 A:LYS1373 4.8 58.8 1.0 O A:GLU1368 4.9 50.6 1.0 N A:PHE1370 5.0 57.8 1.0

G.Job, C.Brugger, T.Xu, B.R.Lowe, Y.Pfister, C.Qu, S.Shanker, J.I.Banos Sanz, J.F.Partridge, T.Schalch. Shrec Silences Heterochromatin Via Distinct Remodeling and Deacetylation Modules. Mol.Cell V. 62 207 2016.
ISSN: ISSN 1097-2765
PubMed: 27105116
DOI: 10.1016/J.MOLCEL.2016.03.016