Chlorine in PDB 7nto: The Structure of Rrm Domain of Human TRMT2A at 1.23 A Resolution

The structure of The Structure of Rrm Domain of Human TRMT2A at 1.23 A Resolution, PDB code: 7nto was solved by M.Witzenberger, R.Janowski, E.Davydova, D.Niessing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.14 / 1.23
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	52.88, 36.3, 39.1, 90, 119.18, 90
R / Rfree (%)	12.7 / 17.2

The structure of The Structure of Rrm Domain of Human TRMT2A at 1.23 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the The Structure of Rrm Domain of Human TRMT2A at 1.23 A Resolution (pdb code 7nto). 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 Structure of Rrm Domain of Human TRMT2A at 1.23 A Resolution, PDB code: 7nto:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Structure of Rrm Domain of Human TRMT2A at 1.23 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 1.23 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:24.5 occ:1.00 O A:HOH337 2.3 46.7 1.0 NA A:NA209 4.5 49.6 0.5 O A:HOH313 4.6 21.2 1.0 NH2 A:ARG127 4.7 18.0 1.0

Chlorine binding site 2 out of 4 in the The Structure of Rrm Domain of Human TRMT2A at 1.23 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 1.23 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl213 b:27.6 occ:0.80 O A:HOH310 3.1 34.6 1.0 O A:ARG117 3.3 17.8 1.0 NA A:NA206 3.5 21.7 1.0 O A:HOH307 3.7 20.0 1.0 CB A:SER118 3.8 11.4 1.0 O3 A:SO4204 4.1 33.3 0.8 CA A:SER118 4.1 12.0 1.0 C A:ARG117 4.2 13.3 1.0 N A:SER118 4.6 11.2 1.0 O A:HOH325 4.9 21.8 0.5 O1 A:SO4204 4.9 36.4 0.8

Chlorine binding site 3 out of 4 in the The Structure of Rrm Domain of Human TRMT2A at 1.23 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 1.23 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl214 b:23.6 occ:0.80 O A:GLN99 3.1 12.6 1.0 O A:HOH316 3.1 36.8 1.0 O A:PRO100 4.0 11.4 1.0 C A:GLN99 4.0 11.6 1.0 C A:PRO100 4.1 10.5 1.0 CB A:GLN99 4.2 17.1 1.0 N A:HIS101 4.2 10.4 1.0 CA A:HIS101 4.3 10.3 1.0 O A:HOH324 4.6 13.5 1.0 OE1 A:GLN99 4.7 23.4 0.9 CA A:GLN99 4.7 11.4 1.0 O A:HOH328 4.8 24.2 1.0 N A:PRO100 4.9 11.5 1.0 CA A:PRO100 5.0 11.1 1.0

Chlorine binding site 4 out of 4 in the The Structure of Rrm Domain of Human TRMT2A at 1.23 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Rrm Domain of Human TRMT2A at 1.23 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl215 b:23.4 occ:0.80 O A:HOH317 2.9 13.9 1.0 O A:GLY97 2.9 14.8 1.0 O A:HOH303 3.1 30.2 1.0 C A:GLY97 3.9 13.7 1.0 CA A:LEU98 4.2 10.5 1.0 CG A:GLU121 4.2 11.8 1.0 N A:LEU98 4.5 11.8 1.0 N A:GLN99 4.5 10.3 1.0 OE2 A:GLU121 4.6 12.1 1.0 CD2 A:LEU98 4.6 13.7 1.0 NZ A:LYS124 4.8 18.3 1.0 C A:LEU98 4.8 9.8 1.0 CD A:GLU121 4.9 11.8 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