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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 2oxi:

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

Copper Binding Sites:

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 2oxi

Go back to Copper Binding Sites List in 2oxi
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 2oxi

Go back to Copper Binding Sites List in 2oxi
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

Reference:

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
Page generated: Sun Dec 13 11:06:04 2020

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