Chlorine in PDB 4klg: Dna Polymerase Beta Matched Product Complex with MG2+, 40 S

All present enzymatic activity of Dna Polymerase Beta Matched Product Complex with MG2+, 40 S:
2.7.7.7;

The structure of Dna Polymerase Beta Matched Product Complex with MG2+, 40 S, PDB code: 4klg 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 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.109, 80.478, 55.529, 90.00, 107.78, 90.00
R / Rfree (%)	18.8 / 22.9

The structure of Dna Polymerase Beta Matched Product Complex with MG2+, 40 S also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the Dna Polymerase Beta Matched Product Complex with MG2+, 40 S (pdb code 4klg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Dna Polymerase Beta Matched Product Complex with MG2+, 40 S, PDB code: 4klg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Dna Polymerase Beta Matched Product Complex with MG2+, 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 MG2+, 40 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:30.0 occ:1.00 O A:HOH756 3.2 48.1 1.0 CB A:ALA32 3.3 28.0 1.0 N A:HIS34 3.5 26.2 1.0 CA A:ALA32 3.5 27.6 1.0 C A:ALA32 3.6 28.9 1.0 CB A:HIS34 3.7 28.9 1.0 N A:LYS35 3.7 22.9 1.0 N A:ILE33 3.8 24.5 1.0 O A:ALA32 4.0 23.2 1.0 CA A:HIS34 4.0 28.8 1.0 CG A:LYS35 4.0 24.8 1.0 CD2 A:HIS34 4.3 34.6 1.0 C A:HIS34 4.3 22.9 1.0 CG A:HIS34 4.3 31.0 1.0 CB A:LYS35 4.5 19.8 1.0 C A:ILE33 4.6 28.2 1.0 CA A:LYS35 4.7 19.9 1.0 CA A:ILE33 4.8 27.2 1.0 O6 D:DG1 4.8 25.4 1.0 O A:HOH567 4.8 34.7 1.0 CD A:LYS35 4.9 30.3 1.0 O A:HOH683 4.9 39.8 1.0 N A:ALA32 5.0 23.2 1.0

Chlorine binding site 2 out of 4 in the Dna Polymerase Beta Matched Product Complex with MG2+, 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 MG2+, 40 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:30.0 occ:1.00 O A:HOH535 2.9 24.7 1.0 N A:CYS267 3.1 16.7 1.0 N A:TYR266 3.5 15.9 1.0 CA A:GLN264 3.5 15.7 1.0 C A:GLN264 3.5 18.4 1.0 SG A:CYS267 3.7 22.4 1.0 O A:HOH668 3.7 33.1 1.0 CB A:CYS267 3.7 15.0 1.0 O A:GLN264 3.7 21.8 1.0 CG1 A:VAL313 3.8 25.1 1.0 CB A:TYR266 3.8 19.6 1.0 O A:HOH693 3.8 33.8 1.0 CA A:TYR266 3.9 18.6 1.0 CB A:VAL313 3.9 20.0 1.0 C A:TYR266 4.0 15.9 1.0 O A:ASP263 4.0 22.8 1.0 CA A:CYS267 4.0 15.7 1.0 N A:TYR265 4.1 18.4 1.0 O A:TYR296 4.3 18.3 1.0 CB A:GLN264 4.4 15.3 1.0 C A:TYR265 4.4 16.1 1.0 N A:GLN264 4.6 17.1 1.0 O A:VAL313 4.6 30.6 1.0 CD2 A:TYR266 4.6 31.2 1.0 CG2 A:VAL313 4.6 23.9 1.0 C A:ASP263 4.7 23.1 1.0 CG A:TYR266 4.7 21.9 1.0 CA A:TYR265 4.8 15.9 1.0 CG A:GLN264 4.8 18.0 1.0

Chlorine binding site 3 out of 4 in the Dna Polymerase Beta Matched Product Complex with MG2+, 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 MG2+, 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 24.3 0.5 OG1 A:THR297 3.2 22.4 1.0 O A:HOH711 3.2 34.4 1.0 ND2 A:ASN294 3.3 18.7 1.0 NE A:ARG299 3.5 24.8 0.5 CZ A:ARG299 3.6 26.1 0.5 NH2 A:ARG299 3.9 23.2 0.5 CZ A:ARG299 3.9 26.1 0.5 OD1 A:ASN294 4.0 17.0 1.0 CG2 A:THR297 4.0 22.0 1.0 CB A:TYR296 4.0 16.2 1.0 CG A:ASN294 4.1 17.2 1.0 NE A:ARG299 4.1 24.0 0.5 CD2 A:TYR296 4.2 17.2 1.0 CB A:THR297 4.2 23.6 1.0 NH1 A:ARG299 4.4 23.8 0.5 CG A:TYR296 4.5 17.5 1.0 O T:HOH235 4.7 30.7 1.0 CD A:ARG299 4.7 24.0 0.5 O A:HOH660 4.8 42.5 1.0 N A:THR297 4.8 15.0 1.0 CD A:ARG299 4.8 24.8 0.5 O A:HOH539 4.8 20.2 1.0 NH1 A:ARG299 4.9 30.6 0.5

Chlorine binding site 4 out of 4 in the Dna Polymerase Beta Matched Product Complex with MG2+, 40 S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dna Polymerase Beta Matched Product Complex with MG2+, 40 S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:30.0 occ:1.00 NH2 A:ARG89 3.2 50.7 1.0 N A:LEU82 3.2 26.5 1.0 O A:HOH622 3.4 34.9 1.0 NH1 A:ARG89 3.4 43.8 1.0 CA A:LYS81 3.6 28.2 1.0 CZ A:ARG89 3.7 48.5 1.0 C A:LYS81 3.9 28.2 1.0 CB A:LYS81 3.9 35.9 1.0 CB A:LEU85 4.0 32.0 1.0 O A:LEU82 4.1 28.0 1.0 CB A:LEU82 4.1 30.8 1.0 CA A:LEU82 4.1 27.0 1.0 CD1 A:LEU85 4.1 26.3 1.0 C A:LEU82 4.5 27.9 1.0 CG A:LEU85 4.7 28.9 1.0 O A:GLY80 4.8 22.5 1.0 CG A:GLU86 4.9 38.0 1.0 N A:LYS81 4.9 21.8 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