Chlorine in PDB 9hxv: Crystal Structure of TET2-Dna in Complex with IOX1

All present enzymatic activity of Crystal Structure of TET2-Dna in Complex with IOX1:
1.14.11.80;

The structure of Crystal Structure of TET2-Dna in Complex with IOX1, PDB code: 9hxv was solved by J.Niggenaber, M.P.Mueller, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.56 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.44, 89.13, 268.25, 90, 90, 90
R / Rfree (%)	19 / 22.1

The structure of Crystal Structure of TET2-Dna in Complex with IOX1 also contains other interesting chemical elements:

Zinc	(Zn)	3 atoms
Iron	(Fe)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of TET2-Dna in Complex with IOX1 (pdb code 9hxv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of TET2-Dna in Complex with IOX1, PDB code: 9hxv:

Chlorine binding site 1 out of 1 in the Crystal Structure of TET2-Dna in Complex with IOX1


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 TET2-Dna in Complex with IOX1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2007 b:30.5 occ:1.00 O A:HOH2184 3.0 26.9 1.0 OG1 A:THR1393 3.2 29.1 0.8 N A:ALA1876 3.3 29.6 1.0 CG2 A:THR1393 3.3 28.4 0.2 N A:LYS1877 3.3 27.4 1.0 ND2 A:ASN1387 3.4 26.1 1.0 CA A:SER1392 3.5 25.1 1.0 C A:SER1392 3.5 26.3 1.0 N A:THR1393 3.7 27.6 0.2 N A:THR1393 3.7 27.6 0.8 C A:CYS1875 3.9 33.0 1.0 CB A:LYS1877 3.9 28.6 1.0 CA A:ALA1876 3.9 25.9 1.0 N A:SER1392 4.0 25.4 1.0 CA A:CYS1875 4.0 27.9 1.0 O A:GLY1391 4.0 28.7 1.0 C A:ALA1876 4.0 32.3 1.0 O A:SER1392 4.0 28.4 1.0 CB A:ALA1876 4.0 30.3 1.0 CB A:ASN1387 4.1 27.3 1.0 C A:GLY1391 4.2 26.0 1.0 CA A:LYS1877 4.2 29.6 1.0 CG A:ASN1387 4.2 26.1 1.0 O A:GLU1874 4.3 32.2 1.0 CB A:THR1393 4.3 30.6 0.8 O A:HOH2130 4.3 28.8 1.0 CB A:THR1393 4.4 29.9 0.2 SG A:CYS1875 4.4 32.1 1.0 CA A:THR1393 4.6 29.1 0.8 CA A:THR1393 4.6 29.0 0.2 OG1 A:THR1393 4.7 28.6 0.2 CB A:SER1392 4.7 31.6 1.0 O A:CYS1875 4.8 26.5 1.0 CB A:CYS1875 4.8 28.6 1.0

S.Willems, L.Maksumic, J.Niggenaber, T.-C.Lin, T.Schulz, J.Weisner, S.Sievers, M.-P.Mueller, D.Summerer, D.Rauh. Advancing Tet Inhibitor Development: From Structural Insights to Biological Evaluation Acs Med.Chem.Lett. 2025.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.5C00042