Chlorine in PDB 8cty: 12-Mer Dna Structure of Exbim Bound to Rnase-H

All present enzymatic activity of 12-Mer Dna Structure of Exbim Bound to Rnase-H:
3.1.26.4;

The structure of 12-Mer Dna Structure of Exbim Bound to Rnase-H, PDB code: 8cty was solved by P.S.Pallan, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.73 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	64.976, 65.834, 95.723, 84.54, 88.2, 62.49
R / Rfree (%)	19.6 / 26.1

The structure of 12-Mer Dna Structure of Exbim Bound to Rnase-H also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the 12-Mer Dna Structure of Exbim Bound to Rnase-H (pdb code 8cty). 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 12-Mer Dna Structure of Exbim Bound to Rnase-H, PDB code: 8cty:

Chlorine binding site 1 out of 1 in the 12-Mer Dna Structure of Exbim Bound to Rnase-H


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 12-Mer Dna Structure of Exbim Bound to Rnase-H within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:63.4 occ:1.00 NZ B:LYS121 3.1 42.7 1.0 OG1 B:THR173 3.2 45.8 1.0 N B:THR173 3.3 36.0 1.0 CE B:LYS121 3.7 39.0 1.0 CA B:HIS172 3.9 35.1 1.0 O B:THR173 4.0 40.2 1.0 C B:HIS172 4.1 37.5 1.0 CB B:THR173 4.1 42.2 1.0 CA B:THR173 4.2 37.8 1.0 CD2 B:HIS172 4.2 39.6 1.0 CB B:HIS172 4.2 37.7 1.0 CG B:HIS172 4.5 37.5 1.0 C B:THR173 4.5 41.3 1.0 CG2 B:THR173 4.6 36.0 1.0 O B:THR171 4.8 39.3 1.0 CD B:LYS121 5.0 37.7 1.0

A.H.Kellum Jr., P.S.Pallan, A.Nilforoushan, S.J.Sturla, M.P.Stone, M.Egli. Conformation and Pairing Properties of An O 6 -Methyl-2'-Deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex Dna. Chem.Res.Toxicol. V. 35 1903 2022.
ISSN: ISSN 0893-228X
PubMed: 35973057
DOI: 10.1021/ACS.CHEMRESTOX.2C00165