Chlorine in PDB 6c8c: Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06

All present enzymatic activity of Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06:
2.7.7.7;

The structure of Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06, PDB code: 6c8c was solved by J.Najeeb, P.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.17 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.550, 51.020, 98.920, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.1

The binding sites of Chlorine atom in the Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06 (pdb code 6c8c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06, PDB code: 6c8c:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:17.1 occ:1.00 CL01 B:EQ7201 0.0 17.1 1.0 C02 B:EQ7201 1.8 12.8 1.0 C18 B:EQ7201 2.7 9.7 1.0 C03 B:EQ7201 2.8 16.8 1.0 N17 B:EQ7201 2.9 8.7 1.0 O A:LEU71 3.7 11.3 1.0 CB A:LEU71 3.8 10.2 1.0 CG B:LYS69 3.8 21.5 1.0 C21 B:EQ7201 3.8 9.9 1.0 OH B:TYR112 4.0 29.7 1.0 C04 B:EQ7201 4.0 17.4 1.0 C06 B:EQ7201 4.1 13.1 1.0 CE1 B:TYR112 4.1 21.7 1.0 CB A:ASP75 4.2 11.0 1.0 C A:LEU71 4.3 12.5 1.0 CD B:LYS69 4.3 27.2 1.0 CZ B:TYR112 4.3 18.1 1.0 C16 B:EQ7201 4.3 10.8 1.0 CE B:LYS69 4.4 20.8 1.0 CA A:LEU71 4.4 11.4 1.0 C22 B:EQ7201 4.4 12.9 1.0 CD1 A:LEU71 4.5 14.3 1.0 CB B:LYS69 4.5 13.0 1.0 CG A:LEU71 4.6 11.4 1.0 OD1 A:ASP75 4.6 23.1 1.0 C05 B:EQ7201 4.6 18.1 1.0 CG A:ASP75 4.7 16.6 1.0 N A:ASP75 4.7 9.7 1.0 CD2 A:LEU71 4.7 14.5 1.0 CA A:ASP75 4.8 9.4 1.0 C20 B:EQ7201 4.8 10.1 1.0 CD2 A:LEU74 4.9 11.9 1.0

Chlorine binding site 2 out of 3 in the Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:10.5 occ:1.00 CL24 B:EQ7201 0.0 10.5 1.0 C23 B:EQ7201 1.8 8.6 1.0 C25 B:EQ7201 2.7 9.2 1.0 C22 B:EQ7201 2.8 12.9 1.0 CA B:LEU71 3.6 7.8 1.0 N B:LEU71 3.6 10.3 1.0 C B:LYS69 3.7 12.2 1.0 CA B:LYS69 3.8 10.3 1.0 CB B:LEU71 3.8 9.6 1.0 CA B:ILE66 3.9 8.6 1.0 N B:ASP70 3.9 10.2 1.0 C26 B:EQ7201 4.0 9.6 1.0 C B:ASP70 4.0 10.4 1.0 C21 B:EQ7201 4.0 9.9 1.0 O B:LYS69 4.1 12.5 1.0 O B:ILE66 4.1 12.1 1.0 CD1 B:LEU71 4.2 12.1 1.0 O B:LEU65 4.2 10.2 1.0 O B:ASP70 4.4 8.3 1.0 CD2 B:LEU74 4.4 10.6 1.0 C B:ILE66 4.5 10.6 1.0 C20 B:EQ7201 4.5 10.1 1.0 N B:LYS69 4.5 9.9 1.0 CG B:LEU71 4.5 9.0 1.0 CG1 B:ILE66 4.6 10.8 1.0 CA B:ASP70 4.6 9.3 1.0 CB B:ILE66 4.7 9.9 1.0 N B:ILE66 4.7 9.0 1.0 CG2 B:ILE66 4.7 11.4 1.0 C B:LEU65 4.8 9.2 1.0 CD2 B:LEU108 4.8 10.7 1.0 CB B:LYS69 4.8 13.0 1.0

Chlorine binding site 3 out of 3 in the Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Chimeric Pol Kappa Rir REV1 C-Terminal Domain in Complex with JHRE06 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:11.7 occ:1.00 CL27 B:EQ7201 0.0 11.7 1.0 C26 B:EQ7201 1.8 9.6 1.0 C25 B:EQ7201 2.7 9.2 1.0 C20 B:EQ7201 2.7 10.1 1.0 N19 B:EQ7201 2.8 11.8 1.0 OG B:SER114 2.9 13.7 0.5 O11 B:EQ7201 3.4 13.5 1.0 CD2 A:LEU116 3.6 12.7 1.0 CD2 B:TYR112 3.8 17.3 1.0 CB B:TYR112 3.8 16.2 1.0 CD1 A:LEU116 3.9 13.4 1.0 CD2 B:LEU108 3.9 10.7 1.0 C23 B:EQ7201 4.0 8.6 1.0 CG B:TYR112 4.0 16.0 1.0 C21 B:EQ7201 4.0 9.9 1.0 CB B:SER114 4.0 14.2 0.5 C16 B:EQ7201 4.2 10.8 1.0 CB B:SER114 4.3 14.6 0.5 CG A:LEU116 4.4 11.8 1.0 C10 B:EQ7201 4.5 14.6 1.0 O B:SER114 4.5 11.8 0.5 C22 B:EQ7201 4.5 12.9 1.0 CB B:LEU108 4.6 10.5 1.0 OG B:SER114 4.6 12.0 0.5 CG B:LEU108 4.6 10.7 1.0 CE2 B:TYR112 4.6 23.6 1.0 CD1 B:LEU108 4.8 12.9 1.0 C B:SER114 4.8 12.8 0.5 C09 B:EQ7201 4.9 11.4 1.0 O B:SER114 4.9 15.2 0.5 C B:SER114 4.9 9.6 0.5 CA B:SER114 5.0 13.8 0.5

J.L.Wojtaszek, N.Chatterjee, J.Najeeb, A.Ramos, M.Lee, K.Bian, J.Y.Xue, B.A.Fenton, H.Park, D.Li, M.T.Hemann, J.Hong, G.C.Walker, P.Zhou. A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell V. 178 152 2019.
ISSN: ISSN 1097-4172
PubMed: 31178121
DOI: 10.1016/J.CELL.2019.05.028