Zinc in PDB 8fii: Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1)

All present enzymatic activity of Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1):
3.5.4.38;

The structure of Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1), PDB code: 8fii 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)	48.35 / 2.94
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.323, 57.197, 91.422, 90, 99.37, 90
R / Rfree (%)	25.1 / 31

The structure of Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1) also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Zinc atom in the Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1) (pdb code 8fii). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1), PDB code: 8fii:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn204 b:63.2 occ:1.00 ND1 A:HIS70 2.1 58.7 1.0 O4 F:UFP0 2.1 49.5 1.0 SG A:CYS101 2.1 56.5 1.0 SG A:CYS106 2.4 61.6 1.0 CG A:HIS70 3.0 58.0 1.0 CE1 A:HIS70 3.0 60.6 1.0 OE2 A:GLU72 3.1 75.5 1.0 CB A:CYS101 3.2 56.0 1.0 CB A:CYS106 3.2 63.3 1.0 C4 F:UFP0 3.3 52.0 1.0 CB A:HIS70 3.3 59.1 1.0 N3 F:UFP0 3.5 52.2 1.0 N A:CYS101 3.7 55.5 1.0 CA A:CYS101 3.9 55.2 1.0 C5 F:UFP0 4.0 51.3 1.0 CD A:GLU72 4.1 67.3 1.0 NE2 A:HIS70 4.2 58.9 1.0 CD2 A:HIS70 4.2 56.4 1.0 C2 F:UFP0 4.3 50.8 1.0 CA A:CYS106 4.4 63.4 1.0 O A:CYS101 4.4 54.1 1.0 CB A:TRP104 4.4 50.6 1.0 C A:CYS101 4.5 54.2 1.0 N A:CYS106 4.5 62.8 1.0 F5 F:UFP0 4.5 56.7 1.0 OE1 A:GLU72 4.5 64.4 1.0 C6 F:UFP0 4.7 48.6 1.0 CA A:HIS70 4.8 58.6 1.0 N1 F:UFP0 4.8 46.9 1.0 C A:PRO100 4.8 52.6 1.0 O2 F:UFP0 4.9 51.2 1.0

Zinc binding site 2 out of 2 in the Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn205 b:61.2 occ:1.00 ND1 B:HIS70 2.0 56.5 1.0 SG B:CYS106 2.2 64.2 1.0 SG B:CYS101 2.2 61.5 1.0 O4 E:UFP0 2.6 42.1 1.0 OE2 B:GLU72 2.6 60.0 1.0 CG B:HIS70 3.0 56.8 1.0 CB B:CYS106 3.0 62.7 1.0 CE1 B:HIS70 3.1 57.0 1.0 CB B:HIS70 3.2 57.4 1.0 CB B:CYS101 3.4 62.4 1.0 C4 E:UFP0 3.7 42.4 1.0 N B:CYS101 3.8 61.4 1.0 N3 E:UFP0 3.8 42.5 1.0 CD B:GLU72 3.8 56.4 1.0 CA B:CYS101 4.1 59.9 1.0 CD2 B:HIS70 4.1 56.4 1.0 NE2 B:HIS70 4.1 57.1 1.0 CA B:CYS106 4.3 63.3 1.0 C5 E:UFP0 4.4 41.6 1.0 CB B:TRP104 4.4 60.6 1.0 N B:CYS106 4.4 61.6 1.0 C2 E:UFP0 4.5 41.9 1.0 O B:CYS101 4.5 52.1 1.0 OE1 B:GLU72 4.5 53.4 1.0 C B:CYS101 4.6 57.5 1.0 CA B:HIS70 4.7 59.3 1.0 C6 E:UFP0 4.9 40.5 1.0 F5 E:UFP0 4.9 42.9 1.0 CG B:GLU72 4.9 56.0 1.0 N1 E:UFP0 5.0 40.1 1.0 C B:PRO100 5.0 58.9 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.