Chlorine in PDB 7rbg: Human Dna Polymerase Beta Crosslinked Ternary Complex 1

All present enzymatic activity of Human Dna Polymerase Beta Crosslinked Ternary Complex 1:
2.7.7.7;

The structure of Human Dna Polymerase Beta Crosslinked Ternary Complex 1, PDB code: 7rbg was solved by A.J.Reed, A.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.07 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.51, 78.43, 57.19, 90, 113.22, 90
R / Rfree (%)	17.9 / 22.3

The structure of Human Dna Polymerase Beta Crosslinked Ternary Complex 1 also contains other interesting chemical elements:

Calcium	(Ca)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Human Dna Polymerase Beta Crosslinked Ternary Complex 1 (pdb code 7rbg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Dna Polymerase Beta Crosslinked Ternary Complex 1, PDB code: 7rbg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Dna Polymerase Beta Crosslinked Ternary Complex 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Dna Polymerase Beta Crosslinked Ternary Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:23.8 occ:1.00 N A:HIS34 3.3 18.8 1.0 C A:ALA32 3.4 18.6 1.0 O A:HOH698 3.4 42.0 1.0 CB A:ALA32 3.4 19.2 1.0 CA A:ALA32 3.4 19.2 1.0 CB A:HIS34 3.5 18.2 1.0 N A:LYS35 3.5 17.7 1.0 N A:ILE33 3.7 18.5 1.0 CA A:HIS34 3.7 17.9 1.0 CD2 A:HIS34 3.8 19.5 1.0 O A:ALA32 3.9 18.1 1.0 CG A:LYS35 3.9 21.9 1.0 CG A:HIS34 3.9 18.9 1.0 C A:HIS34 4.1 17.8 1.0 C A:ILE33 4.3 18.4 1.0 CD A:LYS35 4.4 23.7 1.0 CB A:LYS35 4.4 19.7 1.0 CA A:LYS35 4.5 18.5 1.0 O A:HOH569 4.6 29.9 1.0 CE A:LYS35 4.6 23.9 1.0 CA A:ILE33 4.6 19.9 1.0 N A:ALA32 4.9 20.2 1.0

Chlorine binding site 2 out of 2 in the Human Dna Polymerase Beta Crosslinked Ternary Complex 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Dna Polymerase Beta Crosslinked Ternary Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:28.6 occ:1.00 O A:HOH534 2.9 27.8 1.0 ND1 A:HIS34 3.0 19.2 1.0 ND2 A:ASN37 3.4 20.4 1.0 C2 T:DC5 3.7 16.4 1.0 N1 T:DC5 3.7 17.1 1.0 CA A:HIS34 3.8 17.9 1.0 CB A:ASN37 3.8 18.4 1.0 CE1 A:HIS34 3.9 19.4 1.0 CG A:HIS34 3.9 18.9 1.0 N3 T:DC5 4.0 16.2 1.0 C6 T:DC5 4.0 16.6 1.0 CG A:ASN37 4.0 20.1 1.0 CB A:HIS34 4.0 18.2 1.0 C2' T:DC5 4.0 19.5 1.0 O2 T:DC5 4.1 17.0 1.0 C1' T:DC5 4.2 18.6 1.0 C4 T:DC5 4.3 16.0 1.0 C5 T:DC5 4.3 17.2 1.0 O D:HOH113 4.4 30.9 1.0 O A:HIS34 4.4 18.3 1.0 O A:ILE33 4.5 16.8 1.0 N A:HIS34 4.6 18.8 1.0 C A:HIS34 4.7 17.8 1.0 OP1 T:DG6 4.7 20.4 1.0 C A:ILE33 4.9 18.4 1.0 O T:HOH102 4.9 26.5 1.0

A.Kumar, A.J.Reed, W.J.Zahurancik, S.M.Daskalova, S.M.Hecht, Z.Suo. Interlocking Activities of Dna Polymerase Beta in the Base Excision Repair Pathway. Proc.Natl.Acad.Sci.Usa V. 119 40119 2022.
ISSN: ESSN 1091-6490
PubMed: 35238634
DOI: 10.1073/PNAS.2118940119