Zinc in PDB 8con: Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh

All present enzymatic activity of Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh:
1.1.1.1;

The structure of Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh, PDB code: 8con was solved by S.Fermani, S.Fanti, G.Carloni, G.Falini, M.Meloni, M.Zaffagnini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.02 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.405, 63.405, 182.153, 90, 90, 120
R / Rfree (%)	18.6 / 21.4

The binding sites of Zinc atom in the Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh (pdb code 8con). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh, PDB code: 8con:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:22.7 occ:0.88 OE2 A:GLU70 2.0 24.7 1.0 NE2 A:HIS69 2.2 27.7 1.0 SG A:CYS47 2.3 25.7 1.0 SG A:CYS177 2.3 29.7 1.0 CE1 A:HIS69 3.0 23.8 1.0 CB A:CYS177 3.0 28.6 1.0 CD A:GLU70 3.1 29.1 1.0 CB A:CYS47 3.3 24.8 1.0 CD2 A:HIS69 3.3 18.4 1.0 CG A:GLU70 3.6 19.8 1.0 NH2 A:ARG372 3.8 23.5 1.0 O A:HOH518 4.0 29.7 1.0 ND1 A:HIS69 4.1 21.8 1.0 OE1 A:GLU70 4.2 27.2 1.0 O A:HOH686 4.3 36.3 1.0 CG A:HIS69 4.3 18.0 1.0 O A:HOH594 4.4 26.3 1.0 CA A:CYS177 4.5 27.4 1.0 CA A:CYS47 4.6 20.9 1.0 CB A:THR49 4.6 24.3 1.0 OG1 A:THR49 4.7 23.6 1.0 CZ A:ARG372 4.8 24.6 1.0 N A:CYS47 4.8 22.0 1.0 N A:GLY178 4.8 27.9 1.0 NE A:ARG372 5.0 20.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Alcohol Dehydrogenase From Arabidopsis Thaliana in Complex with Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:24.4 occ:0.94 SG A:CYS99 2.3 30.8 1.0 SG A:CYS113 2.3 25.4 1.0 SG A:CYS105 2.4 25.7 1.0 SG A:CYS102 2.4 25.1 1.0 CB A:CYS113 3.3 25.3 1.0 CB A:CYS105 3.5 21.6 1.0 CB A:CYS99 3.5 26.8 1.0 CB A:CYS102 3.5 31.9 1.0 N A:CYS99 3.5 26.7 1.0 CA A:CYS113 3.6 22.0 1.0 N A:CYS102 3.8 30.9 1.0 N A:GLY100 3.9 29.0 1.0 CA A:CYS99 4.0 28.1 1.0 N A:ASP114 4.0 27.4 1.0 C A:CYS113 4.2 24.3 1.0 CA A:CYS102 4.2 26.8 1.0 N A:CYS105 4.3 27.5 1.0 C A:CYS99 4.3 29.5 1.0 N A:GLU101 4.4 32.6 1.0 CA A:CYS105 4.5 22.9 1.0 O A:HOH697 4.5 34.3 1.0 C A:GLU98 4.6 25.6 1.0 N A:LEU115 4.7 26.0 1.0 C A:CYS102 4.8 28.5 1.0 N A:CYS113 4.9 24.5 1.0 CA A:GLU98 4.9 23.8 1.0 CA A:GLY100 4.9 31.9 1.0 O A:CYS102 4.9 29.2 1.0 C A:GLU101 5.0 38.8 1.0

M.Meloni, J.Rossi, S.Fanti, G.Carloni, D.Tedesco, P.Treffon, L.Piccinini, G.Falini, P.Trost, E.Vierling, F.Licausi, B.Giuntoli, F.Musiani, S.Fermani, M.Zaffagnini. Structural and Biochemical Characterization of Arabidopsis Alcohol Dehydrogenases Reveals Distinct Functional Properties But Similar Redox Sensitivity. Plant J. 2024.
ISSN: ESSN 1365-313X
PubMed: 38308388
DOI: 10.1111/TPJ.16651