Zinc in PDB 1r37: Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol

All present enzymatic activity of Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol:
1.1.1.1;

The structure of Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol, PDB code: 1r37 was solved by L.Esposito, I.Bruno, F.Sica, C.A.Raia, A.Giordano, M.Rossi, L.Mazzarella, A.Zagari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.064, 83.014, 68.674, 90.00, 96.46, 90.00
R / Rfree (%)	19.3 / 22.5

The binding sites of Zinc atom in the Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol (pdb code 1r37). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol, PDB code: 1r37:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:25.8 occ:1.00 NE2 A:HIS68 2.1 17.1 1.0 O1 A:ETX600 2.3 21.7 1.0 SG A:CYS38 2.3 14.8 1.0 SG A:CYS154 2.3 19.2 1.0 CD2 A:HIS68 2.9 16.6 1.0 CB A:CYS38 3.1 14.9 1.0 CE1 A:HIS68 3.2 16.4 1.0 C5N A:NAD403 3.3 12.6 1.0 CB A:CYS154 3.6 15.0 1.0 C1 A:ETX600 3.6 24.4 1.0 OG A:SER40 3.8 21.9 1.0 C6N A:NAD403 4.0 12.7 1.0 CB A:SER40 4.0 17.1 1.0 CG A:HIS68 4.1 15.2 1.0 C4N A:NAD403 4.1 12.9 1.0 ND1 A:HIS68 4.2 16.1 1.0 NH2 A:ARG342 4.4 15.9 1.0 CA A:CYS38 4.5 13.6 1.0 C2 A:ETX600 4.6 24.1 1.0 CZ2 A:TRP95 4.9 10.9 1.0 CA A:CYS154 4.9 13.1 1.0

Zinc binding site 2 out of 4 in the Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:20.9 occ:1.00 OE2 A:GLU98 2.1 22.0 1.0 SG A:CYS101 2.3 18.6 1.0 SG A:CYS112 2.3 17.2 1.0 SG A:CYS104 2.3 21.0 1.0 CB A:CYS112 3.1 17.6 1.0 CD A:GLU98 3.1 24.4 1.0 CB A:CYS101 3.3 21.0 1.0 CB A:CYS104 3.4 20.0 1.0 CG A:GLU98 3.5 25.2 1.0 CA A:CYS112 3.5 18.5 1.0 N A:CYS101 3.8 23.6 1.0 N A:GLU98 3.9 25.7 1.0 N A:ASP113 3.9 20.3 1.0 N A:GLY99 4.0 26.9 1.0 CA A:CYS101 4.1 21.2 1.0 N A:CYS104 4.2 18.0 1.0 C A:CYS112 4.2 20.2 1.0 OE1 A:GLU98 4.2 27.3 1.0 CA A:CYS104 4.3 18.9 1.0 N A:ASN100 4.4 25.6 1.0 CA A:GLY97 4.5 23.7 1.0 CA A:GLU98 4.6 25.9 1.0 C A:GLY97 4.6 26.0 1.0 CB A:GLU98 4.6 24.7 1.0 C A:CYS101 4.6 21.6 1.0 O A:CYS101 4.6 21.3 1.0 C A:GLU98 4.7 26.7 1.0 N A:SER114 4.8 20.8 1.0 CA A:GLY99 4.8 26.2 1.0 N A:CYS112 4.8 16.8 1.0 C A:ASN100 4.9 24.0 1.0 C A:GLY99 4.9 26.6 1.0

Zinc binding site 3 out of 4 in the Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn500 b:24.3 occ:1.00 NE2 B:HIS68 2.1 17.4 1.0 SG B:CYS38 2.3 14.7 1.0 O1 B:ETX600 2.3 24.6 1.0 SG B:CYS154 2.3 19.2 1.0 CD2 B:HIS68 2.9 17.6 1.0 CB B:CYS38 3.0 13.6 1.0 CE1 B:HIS68 3.2 16.4 1.0 C5N B:NAD403 3.3 12.0 1.0 CB B:CYS154 3.6 14.7 1.0 C1 B:ETX600 3.7 27.5 1.0 OG B:SER40 3.9 22.9 1.0 C6N B:NAD403 3.9 12.6 1.0 CB B:SER40 4.1 17.6 1.0 CG B:HIS68 4.2 17.2 1.0 C4N B:NAD403 4.2 13.8 1.0 ND1 B:HIS68 4.2 17.8 1.0 NH2 B:ARG342 4.4 15.8 1.0 CA B:CYS38 4.5 12.8 1.0 C2 B:ETX600 4.6 28.5 1.0 CA B:CYS154 4.9 14.2 1.0 CZ2 B:TRP95 4.9 11.3 1.0 OE2 B:GLU69 4.9 20.9 1.0

Zinc binding site 4 out of 4 in the Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Alcohol Dehydrogenase From Sulfolobus Solfataricus Complexed with Nad(H) and 2-Ethoxyethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn400 b:21.9 occ:1.00 OE2 B:GLU98 2.1 22.3 1.0 SG B:CYS112 2.3 18.0 1.0 SG B:CYS101 2.3 17.4 1.0 SG B:CYS104 2.3 20.7 1.0 CD B:GLU98 3.0 22.8 1.0 CB B:CYS112 3.2 18.3 1.0 CB B:CYS104 3.3 17.8 1.0 CB B:CYS101 3.3 19.1 1.0 CG B:GLU98 3.4 24.3 1.0 CA B:CYS112 3.6 19.4 1.0 N B:CYS101 3.7 21.3 1.0 N B:GLU98 3.8 24.8 1.0 N B:GLY99 3.8 25.4 1.0 N B:ASP113 4.0 21.5 1.0 CA B:CYS101 4.1 19.9 1.0 N B:CYS104 4.1 17.0 1.0 OE1 B:GLU98 4.1 25.7 1.0 CA B:CYS104 4.3 17.8 1.0 C B:CYS112 4.3 21.0 1.0 N B:ASN100 4.3 23.8 1.0 CA B:GLU98 4.5 25.2 1.0 CA B:GLY97 4.5 22.5 1.0 C B:GLY97 4.5 24.5 1.0 CB B:GLU98 4.5 24.1 1.0 C B:GLU98 4.6 26.0 1.0 C B:CYS101 4.6 20.1 1.0 O B:CYS101 4.6 20.7 1.0 CA B:GLY99 4.6 24.2 1.0 C B:GLY99 4.8 24.6 1.0 N B:CYS112 4.8 18.0 1.0 C B:ASN100 4.9 22.3 1.0 N B:SER114 4.9 22.5 1.0

L.Esposito, I.Bruno, F.Sica, C.A.Raia, A.Giordano, M.Rossi, L.Mazzarella, A.Zagari. Crystal Structure of A Ternary Complex of the Alcohol Dehydrogenase From Sulfolobus Solfataricus Biochemistry V. 42 14397 2003.
ISSN: ISSN 0006-2960
PubMed: 14661950
DOI: 10.1021/BI035271B