Chlorine in PDB 5vs0: Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S

All present enzymatic activity of Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S:
2.7.7.7;

The structure of Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S, PDB code: 5vs0 was solved by A.J.Reed, Z.Suo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.81 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.600, 80.300, 55.400, 90.00, 107.60, 90.00
R / Rfree (%)	20.2 / 26.2

The structure of Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S also contains other interesting chemical elements:

Magnesium

(Mg)

6 atoms

The binding sites of Chlorine atom in the Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S (pdb code 5vs0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S, PDB code: 5vs0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:33.6 occ:1.00 OG1 A:THR297 3.1 24.6 1.0 O A:HOH605 3.1 38.6 1.0 ND2 A:ASN294 3.3 20.7 1.0 CB A:TYR296 3.8 24.0 1.0 OD1 A:ASN294 3.8 20.8 1.0 CG2 A:THR297 4.0 25.4 1.0 CG A:ASN294 4.0 19.9 1.0 NH1 A:ARG299 4.0 43.1 1.0 CZ A:ARG299 4.1 41.7 1.0 CD2 A:TYR296 4.1 25.4 1.0 CB A:THR297 4.1 25.1 1.0 NE A:ARG299 4.3 39.0 1.0 CG A:TYR296 4.4 24.3 1.0 CD A:ARG299 4.5 37.5 1.0 O T:HOH110 4.5 33.2 1.0 NH2 A:ARG299 4.5 41.5 1.0 N A:THR297 4.7 23.2 1.0 O A:HOH571 4.7 25.2 1.0 CA A:TYR296 5.0 22.8 1.0

Chlorine binding site 2 out of 2 in the Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Dna Polymerase Beta 8-Oxog:Dc Extension with Dttp After 80 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:51.9 occ:1.00 NH2 A:ARG89 2.9 56.2 1.0 N A:LEU82 3.1 30.4 1.0 NH1 A:ARG89 3.1 54.0 1.0 CZ A:ARG89 3.4 51.3 1.0 CA A:LYS81 3.8 37.4 1.0 CB A:LEU82 3.9 33.8 1.0 C A:LYS81 3.9 32.6 1.0 CB A:LEU85 3.9 33.4 1.0 O A:LEU82 3.9 27.4 1.0 CA A:LEU82 3.9 31.8 1.0 CD1 A:LEU85 4.0 32.9 1.0 CB A:LYS81 4.1 40.2 1.0 C A:LEU82 4.4 30.1 1.0 CG A:LEU85 4.6 32.1 1.0 NE A:ARG89 4.7 45.0 1.0 CE1 A:PHE76 4.9 35.0 1.0 N A:GLU86 4.9 39.6 1.0 CD1 A:PHE76 4.9 35.0 1.0

A.J.Reed, Z.Suo. Time-Dependent Extension From An 8-Oxoguanine Lesion By Human Dna Polymerase Beta. J. Am. Chem. Soc. V. 139 9684 2017.
ISSN: ESSN 1520-5126
PubMed: 28682600
DOI: 10.1021/JACS.7B05048