Chlorine in PDB 8fik: APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate

All present enzymatic activity of APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate:
3.5.4.38;

The structure of APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate, PDB code: 8fik was solved by S.Harjes, G.B.Jameson, E.Harjes, V.V.Filichev, H.M.Kurup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.17 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.001, 57.229, 92.752, 90, 106.48, 90
R / Rfree (%)	20 / 23.2

The structure of APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate (pdb code 8fik). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate, PDB code: 8fik:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:30.8 occ:1.00 ZN A:ZN201 2.3 31.2 1.0 O D:HOH104 3.0 22.7 1.0 N A:CYS101 3.1 28.1 1.0 CB A:CYS106 3.2 37.0 1.0 N4 D:DC0 3.3 26.7 1.0 ND1 A:HIS70 3.5 29.6 1.0 SG A:CYS106 3.6 35.6 1.0 CB A:HIS70 3.6 26.0 1.0 C4 D:DC0 3.7 25.8 1.0 CA A:PRO100 3.7 24.4 1.0 N3 D:DC0 3.8 25.5 1.0 SG A:CYS101 3.8 35.3 1.0 C A:PRO100 3.9 25.8 1.0 CG A:HIS70 4.0 28.3 1.0 CB A:CYS101 4.1 31.0 1.0 CA A:CYS101 4.1 29.6 1.0 CB A:PRO100 4.1 23.9 1.0 CB A:ALA72 4.3 24.0 1.0 O A:CYS101 4.3 30.1 1.0 C5 D:DC0 4.6 24.4 1.0 CE1 A:HIS70 4.6 30.9 1.0 C A:CYS101 4.7 31.3 1.0 CA A:CYS106 4.7 34.3 1.0 C2 D:DC0 4.7 24.9 1.0 N A:PRO100 4.9 21.6 1.0 N A:ALA72 5.0 21.7 1.0 CA A:HIS70 5.0 24.3 1.0

Chlorine binding site 2 out of 2 in the APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of APOBEC3A E72A Inactive Mutant in Complex with Attc-Hairpin Dna Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:33.5 occ:1.00 ZN B:ZN201 2.3 28.6 1.0 O H:HOH107 2.9 22.4 1.0 CB B:CYS106 3.1 34.6 1.0 N B:CYS101 3.2 23.4 1.0 SG B:CYS106 3.5 33.2 1.0 N4 H:DC0 3.6 25.7 1.0 ND1 B:HIS70 3.6 26.0 1.0 CA B:PRO100 3.6 24.1 1.0 CB B:HIS70 3.7 22.3 1.0 SG B:CYS101 3.8 33.5 1.0 C4 H:DC0 3.9 24.9 1.0 N3 H:DC0 3.9 24.0 1.0 C B:PRO100 4.0 25.1 1.0 CB B:PRO100 4.0 24.5 1.0 CG B:HIS70 4.1 24.6 1.0 CB B:ALA72 4.2 21.4 1.0 CB B:CYS101 4.2 27.2 1.0 CA B:CYS101 4.2 26.8 1.0 O B:CYS101 4.4 24.6 1.0 CA B:CYS106 4.6 32.4 1.0 C5 H:DC0 4.7 25.0 1.0 CE1 B:HIS70 4.7 27.1 1.0 C B:CYS101 4.8 26.6 1.0 C2 H:DC0 4.8 24.7 1.0 N B:PRO100 4.9 23.0 1.0 N B:ALA72 4.9 20.5 1.0

S.Harjes, H.M.Kurup, V.Filichev, E.Harjes, G.B.Jameson. Dna-Based Inhibitors Restrict Mutagenic Activity of APOBEC3 in Cells To Be Published.