Zinc in PDB 8b25: Dihydroprecondylocarpine Acetate Synthase 2 From Tabernanthe Iboga - Stemmadenine Acetate Bound Structure

The structure of Dihydroprecondylocarpine Acetate Synthase 2 From Tabernanthe Iboga - Stemmadenine Acetate Bound Structure, PDB code: 8b25 was solved by C.Langley, J.Basquin, L.Caputi, S.E.O'connor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.92 / 2.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.186, 79.845, 130.922, 90, 90, 90
R / Rfree (%)	17.4 / 22.1

The binding sites of Zinc atom in the Dihydroprecondylocarpine Acetate Synthase 2 From Tabernanthe Iboga - Stemmadenine Acetate Bound Structure (pdb code 8b25). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Dihydroprecondylocarpine Acetate Synthase 2 From Tabernanthe Iboga - Stemmadenine Acetate Bound Structure, PDB code: 8b25:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Dihydroprecondylocarpine Acetate Synthase 2 From Tabernanthe Iboga - Stemmadenine Acetate Bound Structure


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Dihydroprecondylocarpine Acetate Synthase 2 From Tabernanthe Iboga - Stemmadenine Acetate Bound Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn507 b:46.3 occ:1.00 SG A:CYS108 2.3 45.6 1.0 SG A:CYS111 2.3 39.8 1.0 SG A:CYS119 2.4 45.0 1.0 SG A:CYS105 2.4 46.0 1.0 CB A:CYS119 3.3 38.2 1.0 CB A:CYS108 3.3 38.6 1.0 CB A:CYS105 3.5 42.4 1.0 CB A:CYS111 3.5 40.5 1.0 N A:CYS108 3.7 48.4 1.0 N A:CYS105 3.7 44.0 1.0 CA A:CYS108 4.0 41.6 1.0 N A:GLY106 4.0 42.6 1.0 CA A:CYS119 4.0 37.1 1.0 CA A:CYS105 4.0 46.2 1.0 N A:CYS111 4.2 40.7 1.0 CD A:PRO120 4.4 38.7 1.0 C A:CYS105 4.4 44.0 1.0 N A:LYS107 4.4 47.3 1.0 CA A:CYS111 4.5 42.8 1.0 CB A:THR104 4.5 42.2 1.0 C A:CYS108 4.7 42.8 1.0 C A:THR104 4.8 40.3 1.0 C A:LYS107 4.8 50.8 1.0 O A:CYS108 4.9 44.6 1.0 C A:CYS119 4.9 41.4 1.0 N A:PRO120 4.9 39.5 1.0 OG1 A:THR104 5.0 42.8 1.0

Zinc binding site 2 out of 2 in the Dihydroprecondylocarpine Acetate Synthase 2 From Tabernanthe Iboga - Stemmadenine Acetate Bound Structure


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Dihydroprecondylocarpine Acetate Synthase 2 From Tabernanthe Iboga - Stemmadenine Acetate Bound Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn504 b:54.4 occ:1.00 SG B:CYS111 2.3 53.8 1.0 SG B:CYS108 2.3 58.4 1.0 SG B:CYS105 2.4 51.3 1.0 SG B:CYS119 2.4 52.1 1.0 CB B:CYS119 3.2 42.9 1.0 CB B:CYS108 3.4 55.7 1.0 CB B:CYS105 3.5 47.8 1.0 CB B:CYS111 3.6 55.2 1.0 N B:CYS105 3.7 47.1 1.0 N B:CYS108 3.7 54.4 1.0 N B:GLY106 4.0 50.0 1.0 CA B:CYS119 4.0 44.3 1.0 CA B:CYS105 4.0 49.1 1.0 CA B:CYS108 4.1 53.3 1.0 N B:CYS111 4.3 54.7 1.0 CD B:PRO120 4.3 51.4 1.0 C B:CYS105 4.4 50.4 1.0 N B:LYS107 4.4 56.3 1.0 CB B:THR104 4.5 42.5 1.0 CA B:CYS111 4.5 54.3 1.0 C B:THR104 4.7 46.0 1.0 C B:CYS108 4.7 53.8 1.0 C B:CYS119 4.8 47.0 1.0 N B:PRO120 4.8 52.8 1.0 O B:CYS108 4.9 57.4 1.0 OG1 B:THR104 4.9 43.3 1.0 C B:LYS107 4.9 62.0 1.0 CA B:GLY106 4.9 50.0 1.0

C.Langley, E.Tatsis, B.Hong, Y.Nakamura, C.Paetz, C.E.M.Stevenson, J.Basquin, D.M.Lawson, L.Caputi, S.E.O'connor. Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism. Angew.Chem.Int.Ed.Engl. V. 61 10934 2022.
ISSN: ESSN 1521-3773
PubMed: 36198083
DOI: 10.1002/ANIE.202210934