Chlorine in PDB 8fim: Structure of APOBEC3A (E72A Inactive Mutant) in Complex with Ttc- Hairpin Dna Substrate

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

The structure of Structure of APOBEC3A (E72A Inactive Mutant) in Complex with Ttc- Hairpin Dna Substrate, PDB code: 8fim 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)	47.99 / 2.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.917, 56.904, 91.549, 90, 103.57, 90
R / Rfree (%)	23.8 / 27.7

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

Zinc

(Zn)

2 atoms

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

Chlorine binding site 1 out of 2 in the Structure of APOBEC3A (E72A Inactive 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 Structure of APOBEC3A (E72A Inactive Mutant) in Complex with Ttc- Hairpin Dna Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:69.0 occ:1.00 ZN A:ZN202 2.1 53.0 0.5 O A:HOH306 2.9 47.7 1.0 N A:CYS101 3.1 60.0 1.0 N4 C:DC0 3.2 54.6 1.0 CB A:CYS106 3.3 76.9 1.0 SG A:CYS106 3.3 80.9 1.0 ND1 A:HIS70 3.4 52.7 1.0 C4 C:DC0 3.6 54.0 1.0 CB A:HIS70 3.6 51.7 1.0 CA A:PRO100 3.7 51.3 1.0 N3 C:DC0 3.7 55.7 1.0 CB A:CYS101 3.8 63.0 1.0 C A:PRO100 3.9 54.2 1.0 CG A:HIS70 3.9 53.0 1.0 SG A:CYS101 3.9 69.1 1.0 CA A:CYS101 4.0 63.4 1.0 CB A:PRO100 4.2 50.4 1.0 CB A:ALA72 4.2 50.6 1.0 O A:CYS101 4.4 63.5 1.0 C5 C:DC0 4.5 53.6 1.0 CE1 A:HIS70 4.5 54.4 1.0 C2 C:DC0 4.6 55.0 1.0 C A:CYS101 4.7 65.9 1.0 CA A:CYS106 4.8 77.0 1.0 N A:PRO100 4.9 49.8 1.0 O A:SER99 5.0 49.3 1.0

Chlorine binding site 2 out of 2 in the Structure of APOBEC3A (E72A Inactive 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 Structure of APOBEC3A (E72A Inactive Mutant) in Complex with Ttc- Hairpin Dna Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:61.7 occ:1.00 ZN B:ZN202 2.3 65.6 0.5 O H:HOH101 2.8 42.5 1.0 N B:CYS101 3.2 60.4 1.0 CB B:CYS106 3.2 87.0 1.0 N4 H:DC0 3.3 52.3 1.0 SG B:CYS106 3.4 100.1 1.0 CA B:PRO100 3.5 54.4 1.0 ND1 B:HIS70 3.7 55.7 1.0 C4 H:DC0 3.7 51.6 1.0 CB B:HIS70 3.8 49.6 1.0 N3 H:DC0 3.8 52.0 1.0 C B:PRO100 3.9 56.4 1.0 CB B:ALA72 3.9 53.5 1.0 CB B:PRO100 4.0 54.6 1.0 CB B:CYS101 4.1 65.6 1.0 CA B:CYS101 4.2 65.4 1.0 SG B:CYS101 4.2 77.8 1.0 CG B:HIS70 4.2 50.2 1.0 O B:CYS101 4.4 64.3 1.0 CA B:CYS106 4.7 83.7 1.0 N B:PRO100 4.7 52.3 1.0 C B:CYS101 4.7 66.3 1.0 C5 H:DC0 4.7 51.4 1.0 CE1 B:HIS70 4.8 55.8 1.0 N B:ALA72 4.8 51.6 1.0 C2 H:DC0 4.9 52.2 1.0 CA B:ALA72 5.0 53.0 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.