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Cobalt in PDB 8eix: Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide

Enzymatic activity of Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide

All present enzymatic activity of Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide:
1.1.1.1;

Protein crystallography data

The structure of Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 8eix was solved by C.Zheng, I.I.Mathews, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.36 / 2.46
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 56.27, 57.56, 68.25, 72.32, 74.88, 71.6
R / Rfree (%) 20.6 / 24.4

Other elements in 8eix:

The structure of Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide (pdb code 8eix). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 8eix:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in 8eix

Go back to Cobalt Binding Sites List in 8eix
Cobalt binding site 1 out of 2 in the Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co401

b:86.3
occ:1.00
 NE2 A:HIS67 2.0 64.8 1.0
SG A:CYS46 2.3 76.5 1.0
SG A:CYS174 2.4 58.4 1.0
CE1 A:HIS67 2.6 63.2 1.0
O9 A:CXF404 2.8 75.1 1.0
CB A:CYS46 2.9 64.4 1.0
C7 A:CXF404 3.2 72.8 1.0
CD2 A:HIS67 3.2 57.5 1.0
CB A:CYS174 3.6 58.5 1.0
ND1 A:HIS67 3.8 57.8 1.0
CB A:ALA48 3.9 69.8 1.0
C5N A:NAI403 4.0 62.6 1.0
CG A:HIS67 4.2 63.0 1.0
C6N A:NAI403 4.3 50.3 1.0
CA A:CYS46 4.4 69.8 1.0
N8 A:CXF404 4.5 75.1 1.0
N A:ALA48 4.5 71.5 1.0
OE2 A:GLU68 4.5 73.6 1.0
CG A:GLU68 4.7 62.6 1.0
C A:CYS46 4.8 69.9 1.0
C4N A:NAI403 4.8 52.9 1.0
CA A:ALA48 4.8 69.2 1.0
N A:ARG47 5.0 73.8 1.0
CA A:CYS174 5.0 54.9 1.0

Cobalt binding site 2 out of 2 in 8eix

Go back to Cobalt Binding Sites List in 8eix
Cobalt binding site 2 out of 2 in the Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co401

b:85.5
occ:1.00
 NE2 B:HIS67 2.1 70.3 1.0
SG B:CYS174 2.3 70.4 1.0
SG B:CYS46 2.6 88.3 1.0
CE1 B:HIS67 2.8 67.5 1.0
CB B:CYS46 2.8 71.6 1.0
O9 B:CXF404 2.9 78.9 1.0
CD2 B:HIS67 3.3 65.6 1.0
CB B:CYS174 3.4 70.7 1.0
C7 B:CXF404 3.5 78.2 1.0
C5N B:NAI403 3.9 62.6 1.0
NH2 B:ARG369 3.9 93.5 1.0
ND1 B:HIS67 4.0 69.2 1.0
CG B:HIS67 4.3 65.8 1.0
CA B:CYS46 4.3 76.7 1.0
CB B:ALA48 4.4 71.4 1.0
OE1 B:GLU68 4.5 83.5 1.0
C6N B:NAI403 4.5 52.3 1.0
N B:GLY175 4.7 62.5 1.0
CA B:CYS174 4.8 71.0 1.0
N8 B:CXF404 4.8 79.8 1.0
C4N B:NAI403 4.9 64.3 1.0
N B:ALA48 4.9 70.1 1.0
C B:CYS46 4.9 75.4 1.0

Reference:

C.Zheng, I.I.Mathews, S.G.Boxer. Structure of Cobalt(II)-Substituted S48A Horse Liver Alcohol Dehydrogenase at 2.46 Angstroms Resolution To Be Published.
Page generated: Tue Jul 30 19:51:35 2024

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