Chlorine in PDB 7ntn: The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution

The structure of The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution, PDB code: 7ntn was solved by E.Davydova, R.Janowski, M.Witzenberger, D.Niessing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.48 / 2.02
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	131.45, 131.45, 131.45, 90, 90, 90
R / Rfree (%)	20.5 / 25.1

The structure of The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution (pdb code 7ntn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution, PDB code: 7ntn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:38.9 occ:0.33 O A:HOH328 2.8 68.7 1.0 N A:GLY107 3.2 33.2 1.0 CA A:GLY107 3.9 30.1 1.0 CA A:PHE106 4.1 28.6 1.0 C A:PHE106 4.2 40.0 1.0 CD1 A:PHE106 4.4 47.7 1.0 CB A:PHE106 4.6 36.8 1.0 C A:GLY107 4.9 27.5 1.0 O A:HOH311 4.9 37.9 1.0 CG A:PHE106 5.0 48.2 1.0

Chlorine binding site 2 out of 3 in the The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:90.8 occ:1.00 O A:HOH315 3.6 44.6 1.0 CE A:LYS135 3.7 65.8 1.0 CB A:PRO81 4.1 35.8 1.0 OD2 A:ASP88 4.1 38.9 1.0 CA A:ALA84 4.1 38.0 1.0 NZ A:LYS135 4.2 71.9 1.0 CB A:ALA84 4.3 41.1 1.0 N A:ALA84 4.4 41.0 1.0 NA A:NA208 4.4 66.8 1.0 CG A:PRO81 4.5 31.1 1.0 CG A:ASP88 4.6 43.2 1.0 CD A:LYS135 4.7 61.1 1.0 C A:HIS83 4.7 48.7 1.0 O A:HIS83 4.7 48.7 1.0 CG A:LYS135 4.9 49.1 1.0 NE1 A:TRP134 4.9 30.2 1.0 CB A:ASP88 4.9 27.8 1.0 CZ2 A:TRP134 4.9 36.6 1.0

Chlorine binding site 3 out of 3 in the The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Rrm Domain of Human TRMT2A at 2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:71.4 occ:1.00 NA A:NA208 2.9 66.8 1.0 NH1 A:ARG137 3.2 76.9 1.0 N A:ARG82 3.4 32.6 1.0 NE A:ARG137 3.7 73.3 1.0 CZ A:ARG137 3.8 75.4 1.0 CA A:PRO81 3.9 33.5 1.0 CB A:PRO81 4.0 35.8 1.0 C A:PRO81 4.1 35.4 1.0 CB A:ARG82 4.2 49.1 1.0 CA A:ARG82 4.4 45.8 1.0 CG A:ARG82 4.7 60.6 1.0 N A:HIS83 4.8 41.9 1.0 CD2 A:HIS83 4.9 85.7 1.0 CD A:ARG137 4.9 70.3 1.0

M.A.Margreiter, M.Witzenberger, Y.Wasser, E.Davydova, R.Janowski, J.Metz, P.Habib, S.E.M.Sahnoun, C.Sobisch, B.Poma, O.Palomino-Hernandez, M.Wagner, T.Carell, N.Jon Shah, J.B.Schulz, D.Niessing, A.Voigt, G.Rossetti. Small-Molecule Modulators of TRMT2A Decrease Polyq Aggregation and Polyq-Induced Cell Death. Comput Struct Biotechnol J V. 20 443 2022.
ISSN: ESSN 2001-0370
PubMed: 35070167
DOI: 10.1016/J.CSBJ.2021.12.029