Chlorine in PDB 8fil: Zinc-Free APOBEC3A (Inactive E72A Mutant) in Complex with Ttc-Hairpin Dna Substrate

All present enzymatic activity of Zinc-Free APOBEC3A (Inactive E72A Mutant) in Complex with Ttc-Hairpin Dna Substrate:
3.5.4.38;

The structure of Zinc-Free APOBEC3A (Inactive E72A Mutant) in Complex with Ttc-Hairpin Dna Substrate, PDB code: 8fil 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)	40.94 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.75, 57.352, 93.739, 90, 105.78, 90
R / Rfree (%)	23.1 / 26.6

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

Chlorine binding site 1 out of 2 in the Zinc-Free APOBEC3A (Inactive E72A Mutant) in Complex with Ttc-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 Zinc-Free APOBEC3A (Inactive E72A Mutant) in Complex with Ttc-Hairpin Dna Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:39.9 occ:1.00 O A:HOH325 2.9 22.9 1.0 N A:CYS106 3.4 44.3 1.0 ND1 A:HIS70 3.5 41.5 1.0 N A:CYS101 3.5 42.5 1.0 CA A:GLY105 3.6 50.5 1.0 N4 D:DC0 3.6 29.8 1.0 CA A:PRO100 3.7 39.4 1.0 SG A:CYS106 3.8 47.6 1.0 CB A:HIS70 3.9 36.0 1.0 C A:GLY105 4.0 46.1 1.0 CB A:CYS106 4.0 45.4 1.0 O A:CYS101 4.0 42.7 1.0 CB A:ALA72 4.1 35.2 1.0 C4 D:DC0 4.1 28.6 1.0 N3 D:DC0 4.1 28.7 1.0 C A:PRO100 4.1 40.1 1.0 CB A:PRO100 4.1 40.7 1.0 SG A:CYS101 4.1 48.8 1.0 CG A:HIS70 4.2 37.8 1.0 CA A:CYS106 4.3 46.4 1.0 CA A:CYS101 4.5 44.6 1.0 CE1 A:HIS70 4.5 41.5 1.0 C A:CYS101 4.6 44.8 1.0 CB A:CYS101 4.9 47.4 1.0 N A:PRO100 4.9 37.2 1.0 N A:GLY105 5.0 53.0 1.0 N A:ALA72 5.0 31.6 1.0

Chlorine binding site 2 out of 2 in the Zinc-Free APOBEC3A (Inactive E72A Mutant) in Complex with Ttc-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 Zinc-Free APOBEC3A (Inactive E72A Mutant) in Complex with Ttc-Hairpin Dna Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:46.7 occ:1.00 O E:HOH102 2.9 28.1 1.0 ND1 B:HIS70 3.3 36.3 1.0 N B:CYS106 3.5 45.1 1.0 N B:CYS101 3.6 44.2 1.0 CA B:GLY105 3.6 44.5 1.0 N4 E:DC0 3.7 33.1 1.0 CA B:PRO100 3.8 42.5 1.0 CB B:HIS70 3.8 33.4 1.0 SG B:CYS106 3.8 52.5 1.0 C B:GLY105 4.0 44.6 1.0 CB B:CYS106 4.0 51.0 1.0 CG B:HIS70 4.0 35.1 1.0 SG B:CYS101 4.0 58.3 1.0 O B:CYS101 4.1 43.3 1.0 C4 E:DC0 4.1 31.2 1.0 CB B:PRO100 4.1 44.4 1.0 N3 E:DC0 4.2 31.2 1.0 CB B:ALA72 4.2 35.4 1.0 C B:PRO100 4.2 43.1 1.0 CA B:CYS106 4.4 48.8 1.0 CE1 B:HIS70 4.4 34.9 1.0 CA B:CYS101 4.6 49.3 1.0 C B:CYS101 4.7 47.7 1.0 N B:GLY105 4.9 47.8 1.0 CB B:CYS101 4.9 53.1 1.0 C5 E:DC0 5.0 30.1 1.0 N B:ALA72 5.0 31.9 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.