Chlorine in PDB 9bpa: Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form

All present enzymatic activity of Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form:
2.7.7.7;

The binding sites of Chlorine atom in the Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form (pdb code 9bpa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form, PDB code: 9bpa:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form


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 Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:20.0 occ:1.00 CL7 A:WCN901 0.0 20.0 1.0 C01 A:WCN901 1.8 20.0 1.0 C06 A:WCN901 2.7 20.0 1.0 C02 A:WCN901 2.7 20.0 1.0 OE2 A:GLU204 2.8 37.5 1.0 H061 A:WCN901 2.9 20.0 1.0 H021 A:WCN901 2.9 20.0 1.0 CD A:GLU204 3.7 40.6 1.0 CE1 A:HIS180 3.9 40.0 1.0 C05 A:WCN901 4.0 20.0 1.0 CD2 A:LEU201 4.0 23.9 1.0 C03 A:WCN901 4.0 20.0 1.0 NE2 A:HIS180 4.1 41.8 1.0 CD A:LYS206 4.1 30.6 1.0 NZ A:LYS206 4.3 32.1 1.0 OE1 A:GLU204 4.3 44.0 1.0 CD2 A:PHE181 4.4 29.2 1.0 C04 A:WCN901 4.5 20.0 1.0 CB A:PHE181 4.6 29.7 1.0 CG A:GLU204 4.7 36.8 1.0 CE A:LYS206 4.7 31.8 1.0 H051 A:WCN901 4.9 20.0 1.0 H031 A:WCN901 4.9 20.0 1.0 CG A:PHE181 4.9 28.9 1.0

Chlorine binding site 2 out of 4 in the Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form


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 Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl901 b:20.0 occ:1.00 CL7 C:WCN901 0.0 20.0 1.0 C01 C:WCN901 1.8 20.0 1.0 C06 C:WCN901 2.7 20.0 1.0 C02 C:WCN901 2.7 20.0 1.0 OE2 C:GLU204 2.8 37.5 1.0 H061 C:WCN901 2.9 20.0 1.0 H021 C:WCN901 2.9 20.0 1.0 CD C:GLU204 3.7 40.6 1.0 CE1 C:HIS180 3.9 40.0 1.0 C05 C:WCN901 4.0 20.0 1.0 CD2 C:LEU201 4.0 23.9 1.0 C03 C:WCN901 4.0 20.0 1.0 NE2 C:HIS180 4.1 41.8 1.0 CD C:LYS206 4.2 30.6 1.0 NZ C:LYS206 4.3 32.1 1.0 OE1 C:GLU204 4.3 44.0 1.0 CD2 C:PHE181 4.4 29.2 1.0 C04 C:WCN901 4.5 20.0 1.0 CB C:PHE181 4.6 29.7 1.0 CG C:GLU204 4.7 36.8 1.0 CE C:LYS206 4.7 31.8 1.0 H051 C:WCN901 4.9 20.0 1.0 H031 C:WCN901 4.9 20.0 1.0 CG C:PHE181 4.9 28.9 1.0

Chlorine binding site 3 out of 4 in the Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl901 b:20.0 occ:1.00 CL7 E:WCN901 0.0 20.0 1.0 C01 E:WCN901 1.8 20.0 1.0 C06 E:WCN901 2.7 20.0 1.0 C02 E:WCN901 2.7 20.0 1.0 OE2 E:GLU204 2.8 37.5 1.0 H061 E:WCN901 2.9 20.0 1.0 H021 E:WCN901 2.9 20.0 1.0 CD E:GLU204 3.8 40.6 1.0 CE1 E:HIS180 3.9 40.0 1.0 C05 E:WCN901 4.0 20.0 1.0 CD2 E:LEU201 4.0 23.9 1.0 C03 E:WCN901 4.0 20.0 1.0 NE2 E:HIS180 4.1 41.8 1.0 CD E:LYS206 4.1 30.6 1.0 NZ E:LYS206 4.3 32.1 1.0 CD2 E:PHE181 4.4 29.2 1.0 OE1 E:GLU204 4.4 44.0 1.0 C04 E:WCN901 4.5 20.0 1.0 CB E:PHE181 4.6 29.7 1.0 CG E:GLU204 4.7 36.8 1.0 CE E:LYS206 4.7 31.8 1.0 H051 E:WCN901 4.9 20.0 1.0 H031 E:WCN901 4.9 20.0 1.0 CG E:PHE181 4.9 28.9 1.0

Chlorine binding site 4 out of 4 in the Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Dna Polymerase Theta Helicase Domain in Complex with Inhibitor AB25583, Tetramer Form within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl901 b:20.0 occ:1.00 CL7 G:WCN901 0.0 20.0 1.0 C01 G:WCN901 1.8 20.0 1.0 C06 G:WCN901 2.7 20.0 1.0 C02 G:WCN901 2.7 20.0 1.0 OE2 G:GLU204 2.8 37.5 1.0 H061 G:WCN901 2.9 20.0 1.0 H021 G:WCN901 2.9 20.0 1.0 CD G:GLU204 3.8 40.6 1.0 CE1 G:HIS180 3.9 40.0 1.0 C05 G:WCN901 4.0 20.0 1.0 CD2 G:LEU201 4.0 23.9 1.0 C03 G:WCN901 4.0 20.0 1.0 NE2 G:HIS180 4.1 41.8 1.0 CD G:LYS206 4.1 30.6 1.0 NZ G:LYS206 4.3 32.1 1.0 CD2 G:PHE181 4.4 29.2 1.0 OE1 G:GLU204 4.4 44.0 1.0 C04 G:WCN901 4.5 20.0 1.0 CB G:PHE181 4.6 29.7 1.0 CG G:GLU204 4.7 36.8 1.0 CE G:LYS206 4.7 31.8 1.0 H051 G:WCN901 4.9 20.0 1.0 H031 G:WCN901 4.9 20.0 1.0 CG G:PHE181 4.9 28.9 1.0

F.Ito, Z.Li, L.Minakhin, G.Chandramouly, M.Tyagi, R.Betsch, J.J.Krais, B.Taberi, U.Vekariya, M.Calbert, T.Skorski, N.Johnson, X.S.Chen, R.T.Pomerantz. Structural Basis For A Pol Theta Helicase Small-Molecule Inhibitor Revealed By Cryo-Em. Nat Commun V. 15 7003 2024.
ISSN: ESSN 2041-1723
PubMed: 39143110
DOI: 10.1038/S41467-024-51351-4