Chlorine in PDB 1kea: Structure of A Thermostable Thymine-Dna Glycosylase

The structure of Structure of A Thermostable Thymine-Dna Glycosylase, PDB code: 1kea was solved by C.D.Mol, A.S.Arvai, T.J.Begley, R.P.Cunningham, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.215, 68.215, 98.944, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 24.8

The structure of Structure of A Thermostable Thymine-Dna Glycosylase also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Structure of A Thermostable Thymine-Dna Glycosylase (pdb code 1kea). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Thermostable Thymine-Dna Glycosylase, PDB code: 1kea:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Thermostable Thymine-Dna Glycosylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Thermostable Thymine-Dna Glycosylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:28.8 occ:1.00 ZN A:ZN1001 2.2 27.2 1.0 O A:ACT3004 2.7 56.7 1.0 C A:ACT3004 3.1 56.7 1.0 OXT A:ACT3004 3.1 56.6 1.0 O A:HOH5010 3.3 26.3 1.0 O A:HOH5008 3.5 24.2 1.0 OE1 A:GLU68 3.5 29.7 1.0 CB A:CYS66 3.6 21.1 1.0 SG A:CYS66 3.9 23.4 1.0 O A:GLY108 4.2 28.4 1.0 CH3 A:ACT3004 4.3 56.4 1.0 CD A:GLU68 4.4 30.6 1.0 O A:HOH5002 4.5 21.8 1.0 NE A:ARG109 4.6 38.4 1.0 CG A:ARG109 4.9 34.1 1.0 CG A:GLU68 5.0 28.7 1.0

Chlorine binding site 2 out of 2 in the Structure of A Thermostable Thymine-Dna Glycosylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Thermostable Thymine-Dna Glycosylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2002 b:29.7 occ:1.00 NH1 A:ARG33 3.3 26.6 1.0 NE A:ARG33 4.1 27.2 1.0 CZ A:ARG33 4.2 27.3 1.0 O A:HOH5025 5.0 36.6 1.0

C.D.Mol, A.S.Arvai, T.J.Begley, R.P.Cunningham, J.A.Tainer. Structure and Activity of A Thermostable Thymine-Dna Glycosylase: Evidence For Base Twisting to Remove Mismatched Normal Dna Bases. J.Mol.Biol. V. 315 373 2002.
ISSN: ISSN 0022-2836
PubMed: 11786018
DOI: 10.1006/JMBI.2001.5264