Zinc in PDB 8fij: Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 2)

All present enzymatic activity of Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 2):
3.5.4.38;

The structure of Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 2), PDB code: 8fij 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)	48.29 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.943, 56.365, 90.113, 90, 104.99, 90
R / Rfree (%)	25.8 / 31.8

The structure of Wild Type APOBEC3A in Complex with Tt(Fdz)-Hairpin Inhibitor (Crystal Form 2) 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 2) (pdb code 8fij). 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 2), PDB code: 8fij:
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 2)


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 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:60.8 occ:1.00 SG A:CYS106 2.1 66.1 1.0 O4 D:UFP0 2.1 66.3 1.0 ND1 A:HIS70 2.3 64.7 1.0 SG A:CYS101 2.4 51.4 1.0 OE1 A:GLU72 2.9 60.1 1.0 CB A:CYS106 3.0 65.5 1.0 CG A:HIS70 3.1 62.1 1.0 CB A:HIS70 3.1 60.6 1.0 CE1 A:HIS70 3.4 66.0 1.0 C4 D:UFP0 3.4 65.7 1.0 N3 D:UFP0 3.5 64.8 1.0 CB A:CYS101 3.6 52.9 1.0 CD A:GLU72 3.8 57.1 1.0 N A:CYS101 3.9 52.4 1.0 OE2 A:GLU72 4.1 58.0 1.0 CA A:CYS101 4.2 53.4 1.0 C5 D:UFP0 4.2 63.4 1.0 CD2 A:HIS70 4.3 62.8 1.0 C2 D:UFP0 4.3 60.2 1.0 CA A:CYS106 4.3 66.2 1.0 NE2 A:HIS70 4.4 65.5 1.0 O A:CYS101 4.4 49.0 1.0 N A:CYS106 4.5 66.6 1.0 CA A:HIS70 4.6 57.0 1.0 C A:CYS101 4.6 57.4 1.0 CB A:TRP104 4.7 61.6 1.0 O2 D:UFP0 4.9 59.0 1.0 F5 D:UFP0 4.9 62.3 1.0 C6 D:UFP0 4.9 61.8 1.0 N1 D:UFP0 4.9 59.1 1.0 C A:PRO100 5.0 52.1 1.0

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


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 2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:63.1 occ:1.00 O4 E:UFP0 1.9 66.2 1.0 ND1 B:HIS70 2.0 58.9 1.0 SG B:CYS106 2.1 61.3 1.0 SG B:CYS101 2.4 63.0 1.0 CG B:HIS70 2.8 59.9 1.0 CB B:HIS70 3.0 63.4 1.0 CE1 B:HIS70 3.1 58.5 1.0 CB B:CYS106 3.2 63.6 1.0 C4 E:UFP0 3.2 66.6 1.0 N3 E:UFP0 3.5 66.1 1.0 OE1 B:GLU72 3.6 63.1 1.0 CB B:CYS101 3.7 61.5 1.0 C5 E:UFP0 3.9 66.7 1.0 CD2 B:HIS70 4.0 57.7 1.0 NE2 B:HIS70 4.1 57.8 1.0 N B:CYS101 4.2 55.2 1.0 CD B:GLU72 4.2 60.1 1.0 C2 E:UFP0 4.2 65.9 1.0 CB B:TRP104 4.4 62.9 1.0 OE2 B:GLU72 4.4 60.0 1.0 CA B:CYS101 4.4 57.3 1.0 CA B:CYS106 4.4 63.9 1.0 F5 E:UFP0 4.5 68.2 1.0 CA B:HIS70 4.5 61.5 1.0 C6 E:UFP0 4.6 65.9 1.0 N B:CYS106 4.6 66.8 1.0 O B:CYS101 4.6 48.5 1.0 N1 E:UFP0 4.7 63.1 1.0 C B:CYS101 4.8 55.6 1.0 O2 E:UFP0 4.9 64.9 1.0 CG B:TRP104 5.0 63.1 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.