Chlorine in PDB 4kll: Dna Polymerase Beta Matched Product Complex with MG2+, 45 Min

All present enzymatic activity of Dna Polymerase Beta Matched Product Complex with MG2+, 45 Min:
2.7.7.7;

The structure of Dna Polymerase Beta Matched Product Complex with MG2+, 45 Min, PDB code: 4kll 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)	23.76 / 1.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.423, 79.570, 55.226, 90.00, 107.69, 90.00
R / Rfree (%)	17.9 / 23

The structure of Dna Polymerase Beta Matched Product Complex with MG2+, 45 Min also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the Dna Polymerase Beta Matched Product Complex with MG2+, 45 Min (pdb code 4kll). 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+, 45 Min, PDB code: 4kll:
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+, 45 Min


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+, 45 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:30.0 occ:1.00 O D:HOH111 2.9 42.0 1.0 N A:HIS34 3.3 28.1 1.0 CB A:HIS34 3.3 29.9 1.0 N A:LYS35 3.5 27.4 1.0 C A:ALA32 3.6 29.0 1.0 CA A:HIS34 3.6 25.7 1.0 CB A:ALA32 3.7 33.3 1.0 CA A:ALA32 3.8 33.0 1.0 CD2 A:HIS34 3.8 39.3 1.0 N A:ILE33 3.8 21.2 1.0 CG A:HIS34 3.9 31.5 1.0 O A:ALA32 4.0 29.4 1.0 C A:HIS34 4.0 29.9 1.0 CG A:LYS35 4.2 27.7 1.0 C A:ILE33 4.3 30.5 1.0 O T:HOH247 4.5 50.6 1.0 CB A:LYS35 4.6 26.6 1.0 CA A:LYS35 4.6 25.4 1.0 O6 D:DG1 4.6 27.8 1.0 CA A:ILE33 4.7 30.2 1.0 O A:HOH574 4.9 39.1 1.0

Chlorine binding site 2 out of 2 in the Dna Polymerase Beta Matched Product Complex with MG2+, 45 Min


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+, 45 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:30.0 occ:1.00 NH2 A:ARG299 2.9 25.0 0.6 O A:HOH573 3.2 33.5 1.0 OG1 A:THR297 3.3 27.4 1.0 NE A:ARG299 3.4 26.7 0.6 ND2 A:ASN294 3.4 23.2 1.0 CZ A:ARG299 3.5 31.4 0.6 CG2 A:THR297 3.7 26.5 1.0 OD1 A:ASN294 4.0 22.0 1.0 CB A:TYR296 4.0 22.2 1.0 CB A:THR297 4.1 27.4 1.0 CG A:ASN294 4.2 21.1 1.0 NE A:ARG299 4.2 27.4 0.4 CD2 A:TYR296 4.2 23.0 1.0 CZ A:ARG299 4.3 32.1 0.4 NH2 A:ARG299 4.3 31.5 0.4 O T:HOH219 4.5 39.0 1.0 CG A:TYR296 4.6 22.2 1.0 CD A:ARG299 4.7 27.8 0.6 O A:HOH563 4.7 31.2 1.0 NH1 A:ARG299 4.7 33.3 0.6 CD A:ARG299 4.8 28.0 0.4 N A:THR297 4.8 25.5 1.0 NH1 A:ARG299 4.8 26.1 0.4

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