Chlorine in PDB 4kli: Dna Polymerase Beta Matched Product Complex with MG2+, 90 S

All present enzymatic activity of Dna Polymerase Beta Matched Product Complex with MG2+, 90 S:
2.7.7.7;

The structure of Dna Polymerase Beta Matched Product Complex with MG2+, 90 S, PDB code: 4kli 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)	32.02 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.940, 80.506, 55.498, 90.00, 107.87, 90.00
R / Rfree (%)	18.5 / 22.2

The structure of Dna Polymerase Beta Matched Product Complex with MG2+, 90 S also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Dna Polymerase Beta Matched Product Complex with MG2+, 90 S (pdb code 4kli). 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 Product Complex with MG2+, 90 S, PDB code: 4kli:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dna Polymerase Beta Matched Product Complex with MG2+, 90 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 Product Complex with MG2+, 90 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:30.0 occ:1.00 N A:HIS34 3.2 23.8 1.0 CB A:HIS34 3.5 27.7 1.0 C A:ALA32 3.5 28.4 1.0 CB A:ALA32 3.6 26.9 1.0 CA A:ALA32 3.6 28.4 1.0 N A:LYS35 3.6 20.4 1.0 N A:ILE33 3.7 23.7 1.0 CA A:HIS34 3.8 29.4 1.0 O A:ALA32 3.9 22.6 1.0 ND1 A:HIS34 4.0 40.0 1.0 C A:HIS34 4.2 21.5 1.0 CG A:HIS34 4.2 28.0 1.0 CG A:LYS35 4.2 25.3 1.0 C A:ILE33 4.3 25.7 1.0 CA A:ILE33 4.6 27.9 1.0 CB A:LYS35 4.6 20.6 1.0 O A:HOH592 4.6 33.0 1.0 CA A:LYS35 4.7 18.3 1.0 O6 D:DG1 4.8 27.0 1.0

Chlorine binding site 2 out of 2 in the Dna Polymerase Beta Matched Product Complex with MG2+, 90 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 Product Complex with MG2+, 90 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:30.0 occ:1.00 NH2 A:ARG299 3.1 23.7 0.5 OG1 A:THR297 3.2 22.1 1.0 O A:HOH685 3.2 32.6 1.0 ND2 A:ASN294 3.3 17.4 1.0 NE A:ARG299 3.4 23.7 0.5 CZ A:ARG299 3.6 24.5 0.5 CG2 A:THR297 3.9 17.9 1.0 OD1 A:ASN294 4.0 18.2 1.0 CB A:TYR296 4.0 17.5 1.0 CZ A:ARG299 4.0 26.4 0.5 CG A:ASN294 4.1 17.1 1.0 NH2 A:ARG299 4.1 23.6 0.5 CB A:THR297 4.2 20.4 1.0 CD2 A:TYR296 4.2 17.0 1.0 NE A:ARG299 4.3 24.2 0.5 NH1 A:ARG299 4.4 27.1 0.5 CG A:TYR296 4.5 19.3 1.0 CD A:ARG299 4.6 22.8 0.5 O A:HOH814 4.6 38.5 1.0 N A:THR297 4.8 16.4 1.0 O A:HOH550 4.8 19.8 1.0 O T:HOH134 4.8 30.6 1.0 O A:HOH744 4.8 39.7 1.0 NH1 A:ARG299 4.9 28.8 0.5 CD A:ARG299 4.9 24.4 0.5

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