Chlorine in PDB 4klh: Dna Polymerase Beta Matched Product Complex with MN2+, 40 S

All present enzymatic activity of Dna Polymerase Beta Matched Product Complex with MN2+, 40 S:
2.7.7.7;

The structure of Dna Polymerase Beta Matched Product Complex with MN2+, 40 S, PDB code: 4klh 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)	25.09 / 1.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.900, 80.200, 55.100, 90.00, 107.90, 90.00
R / Rfree (%)	20.5 / 26.9

The structure of Dna Polymerase Beta Matched Product Complex with MN2+, 40 S also contains other interesting chemical elements:

Manganese	(Mn)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Dna Polymerase Beta Matched Product Complex with MN2+, 40 S (pdb code 4klh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Dna Polymerase Beta Matched Product Complex with MN2+, 40 S, PDB code: 4klh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Dna Polymerase Beta Matched Product Complex with MN2+, 40 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 MN2+, 40 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:30.0 occ:1.00 CB A:ALA32 3.3 30.4 1.0 N A:HIS34 3.4 28.6 1.0 C A:ALA32 3.4 23.1 1.0 CA A:ALA32 3.4 32.1 1.0 CB A:HIS34 3.6 32.5 1.0 N A:LYS35 3.7 20.6 1.0 N A:ILE33 3.7 19.4 1.0 ND1 A:HIS34 3.8 44.8 1.0 O A:ALA32 3.8 32.4 1.0 CA A:HIS34 3.9 31.8 1.0 CG A:LYS35 3.9 29.7 1.0 CG A:HIS34 4.1 38.1 1.0 C A:HIS34 4.3 28.2 1.0 C A:ILE33 4.4 30.3 1.0 CB A:LYS35 4.6 24.9 1.0 O A:HOH577 4.6 29.5 1.0 CA A:ILE33 4.7 32.8 1.0 CA A:LYS35 4.7 24.7 1.0 N A:ALA32 4.9 26.9 1.0 CE1 A:HIS34 4.9 44.6 1.0 CD A:LYS35 5.0 37.1 1.0

Chlorine binding site 2 out of 3 in the Dna Polymerase Beta Matched Product Complex with MN2+, 40 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 MN2+, 40 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:30.0 occ:1.00 NH2 A:ARG299 3.0 31.9 0.4 O A:HOH693 3.0 44.3 1.0 OG1 A:THR297 3.1 27.0 1.0 ND2 A:ASN294 3.3 25.3 1.0 NE A:ARG299 3.4 30.5 0.4 CG2 A:THR297 3.6 30.0 1.0 CZ A:ARG299 3.6 39.7 0.4 CB A:TYR296 4.0 24.5 1.0 OD1 A:ASN294 4.0 29.4 1.0 NH2 A:ARG299 4.0 29.2 0.6 CB A:THR297 4.0 30.0 1.0 CZ A:ARG299 4.0 33.2 0.6 CG A:ASN294 4.0 26.7 1.0 NE A:ARG299 4.1 35.7 0.6 CD2 A:TYR296 4.3 28.5 1.0 CG A:TYR296 4.6 25.4 1.0 O A:HOH567 4.7 32.5 1.0 CD A:ARG299 4.7 33.1 0.4 NH1 A:ARG299 4.7 32.9 0.6 N A:THR297 4.7 25.4 1.0 O T:HOH123 4.7 33.6 1.0 CD A:ARG299 4.8 33.0 0.6 NH1 A:ARG299 4.9 37.7 0.4

Chlorine binding site 3 out of 3 in the Dna Polymerase Beta Matched Product Complex with MN2+, 40 S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dna Polymerase Beta Matched Product Complex with MN2+, 40 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:30.0 occ:1.00 NH2 A:ARG89 2.7 41.3 1.0 O A:HOH616 3.1 39.7 1.0 N A:LEU82 3.4 24.1 1.0 NH1 A:ARG89 3.5 43.1 1.0 CZ A:ARG89 3.5 42.7 1.0 CA A:LYS81 3.8 31.1 1.0 CB A:LYS81 3.9 31.2 1.0 C A:LYS81 4.1 30.4 1.0 CB A:LEU85 4.2 32.3 1.0 CD1 A:LEU85 4.2 29.5 1.0 O A:LEU82 4.2 31.0 1.0 CB A:LEU82 4.3 30.2 1.0 CA A:LEU82 4.4 31.0 1.0 CE1 A:PHE76 4.6 30.1 1.0 C A:LEU82 4.8 35.0 1.0 NE A:ARG89 4.8 38.1 1.0 O A:GLY80 4.8 33.4 1.0 CG A:LEU85 4.8 24.9 1.0 CD1 A:PHE76 4.8 26.0 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