Copper in PDB 2oxi: Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution

All present enzymatic activity of Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution:
1.1.1.1;

The structure of Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution, PDB code: 2oxi was solved by S.Al-Karadaghi, E.S.Cedergren-Zeppezauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.400, 180.600, 50.800, 90.00, 108.00, 90.00
R / Rfree (%)	16 / n/a

The structure of Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Copper atom in the Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution (pdb code 2oxi). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution, PDB code: 2oxi:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu375 b:46.3 occ:0.70 NE2 A:HIS67 2.1 22.5 1.0 SG A:CYS174 2.1 24.8 1.0 SG A:CYS46 2.3 26.6 0.9 CD2 A:HIS67 2.8 19.5 1.0 CB A:CYS46 2.9 21.7 0.9 CB A:CYS46 3.0 24.3 0.1 CE1 A:HIS67 3.0 18.9 1.0 CB A:CYS174 3.3 19.0 1.0 O A:DMS378 3.4 47.5 0.8 C5N A:NAD377 3.7 16.8 1.0 SG A:CYS46 3.7 31.3 0.1 CG A:HIS67 3.8 18.5 1.0 ND1 A:HIS67 3.9 19.2 1.0 NH2 A:ARG369 4.4 30.0 1.0 C6N A:NAD377 4.4 14.3 1.0 CB A:SER48 4.4 18.3 1.0 CA A:CYS46 4.5 23.7 1.0 C4N A:NAD377 4.5 17.9 1.0 OG A:SER48 4.5 18.7 1.0 CA A:CYS174 4.6 19.6 1.0 S A:DMS378 4.7 50.2 0.8 N A:GLY175 4.7 19.3 1.0 CB A:GLU68 4.8 20.1 1.0 OE2 A:GLU68 4.9 26.1 1.0 CE2 A:PHE93 5.0 18.5 1.0 C A:CYS174 5.0 18.8 1.0

Copper binding site 2 out of 2 in the Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Refined Crystal Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu375 b:42.2 occ:0.60 NE2 B:HIS67 2.2 12.3 1.0 SG B:CYS174 2.2 21.9 1.0 SG B:CYS46 2.2 23.2 0.9 CB B:CYS46 3.0 17.4 0.9 CB B:CYS46 3.0 21.5 0.1 CD2 B:HIS67 3.1 12.9 1.0 CE1 B:HIS67 3.1 8.5 1.0 O B:DMS378 3.2 36.7 0.8 C5N B:NAD377 3.5 10.7 1.0 SG B:CYS46 3.5 30.2 0.1 CB B:CYS174 3.6 16.2 1.0 C6N B:NAD377 4.1 9.8 1.0 ND1 B:HIS67 4.2 11.2 1.0 CG B:HIS67 4.2 10.6 1.0 C4N B:NAD377 4.3 13.2 1.0 CB B:SER48 4.3 12.4 1.0 OG B:SER48 4.4 13.1 1.0 CA B:CYS46 4.4 18.3 1.0 NH2 B:ARG369 4.5 20.2 1.0 S B:DMS378 4.5 51.5 0.8 N B:SER48 4.8 16.0 1.0 OE2 B:GLU68 4.8 20.1 1.0 CA B:CYS174 4.9 16.0 1.0 C B:CYS46 5.0 20.0 1.0 C1 B:DMS378 5.0 37.5 0.8

S.Al-Karadaghi, E.S.Cedergren-Zeppezauer, Z.Dauter, K.S.Wilson. Refined Structure of Cu-Substituted Alcohol Dehydrogenase at 2.1 A Resolution. Acta Crystallogr.,Sect.D V. 51 805 1995.
ISSN: ISSN 0907-4449
PubMed: 15299812
DOI: 10.1107/S090744499500045X