Chlorine in PDB 4klf: Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S

All present enzymatic activity of Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S:
2.7.7.7;

The structure of Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S, PDB code: 4klf was solved by B.D.Freudenthal, W.A.Beard, D.D.Shock, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.20 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.750, 79.956, 55.320, 90.00, 107.52, 90.00
R / Rfree (%)	17.9 / 23.1

The structure of Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S (pdb code 4klf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S, PDB code: 4klf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:30.0 occ:1.00 NH2 A:ARG299 2.9 23.8 0.5 OG1 A:THR297 3.2 26.8 1.0 O A:HOH630 3.2 34.7 1.0 NE A:ARG299 3.3 27.2 0.5 ND2 A:ASN294 3.3 24.7 1.0 CZ A:ARG299 3.5 30.8 0.5 CG2 A:THR297 3.9 21.2 1.0 CB A:TYR296 3.9 18.4 1.0 OD1 A:ASN294 4.0 24.0 1.0 CG A:ASN294 4.1 22.1 1.0 CB A:THR297 4.2 25.6 1.0 CD2 A:TYR296 4.2 20.4 1.0 CZ A:ARG299 4.2 33.7 0.6 NE A:ARG299 4.2 25.3 0.6 NH2 A:ARG299 4.3 28.5 0.6 CG A:TYR296 4.5 22.0 1.0 CD A:ARG299 4.6 26.2 0.5 O T:HOH127 4.6 28.1 1.0 NH1 A:ARG299 4.7 30.3 0.6 NH1 A:ARG299 4.8 29.5 0.5 N A:THR297 4.8 20.1 1.0 CD A:ARG299 4.8 26.7 0.6 O A:HOH590 4.8 26.6 1.0

Chlorine binding site 2 out of 2 in the Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dna Polymerase Beta Matched Reactant Complex with MG2+, 20 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:30.0 occ:1.00 NH2 A:ARG89 2.8 50.2 1.0 O A:HOH649 3.0 40.4 1.0 N A:LEU82 3.3 28.9 1.0 NH1 A:ARG89 3.5 44.7 1.0 CZ A:ARG89 3.6 45.1 1.0 CA A:LYS81 3.8 25.0 1.0 CB A:LYS81 3.9 35.0 1.0 CD1 A:LEU85 4.0 26.0 1.0 C A:LYS81 4.0 29.9 1.0 CB A:LEU85 4.0 31.8 1.0 CB A:LEU82 4.2 32.1 1.0 O A:LEU82 4.2 29.2 1.0 CA A:LEU82 4.2 29.1 1.0 C A:LEU82 4.6 26.4 1.0 CG A:LEU85 4.6 32.4 1.0 NE A:ARG89 4.9 43.6 1.0 O A:GLY80 4.9 28.5 1.0 CE1 A:PHE76 4.9 24.8 1.0 CD1 A:PHE76 5.0 28.9 1.0

B.D.Freudenthal, W.A.Beard, D.D.Shock, S.H.Wilson. Observing A Dna Polymerase Choose Right From Wrong. Cell(Cambridge,Mass.) V. 154 157 2013.
ISSN: ISSN 0092-8674
PubMed: 23827680
DOI: 10.1016/J.CELL.2013.05.048