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Cobalt in PDB 8eiy: Cobalt(II)-Substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide

Enzymatic activity of Cobalt(II)-Substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide

All present enzymatic activity of Cobalt(II)-Substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide:
1.1.1.1;

Protein crystallography data

The structure of Cobalt(II)-Substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 8eiy 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) 39.09 / 2.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.1, 71.54, 92.44, 90, 102.95, 90
R / Rfree (%) 20.8 / 26.3

Other elements in 8eiy:

The structure of Cobalt(II)-Substituted S48T 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 S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide (pdb code 8eiy). 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 S48T Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 8eiy:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in 8eiy

Go back to Cobalt Binding Sites List in 8eiy
Cobalt binding site 1 out of 2 in the Cobalt(II)-Substituted S48T 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 S48T 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:79.5
occ:1.00
NE2 A:HIS67 2.1 61.6 1.0
SG A:CYS174 2.2 59.6 1.0
SG A:CYS46 2.3 77.5 1.0
OG1 A:THR48 3.0 63.1 1.0
CD2 A:HIS67 3.0 51.6 1.0
CE1 A:HIS67 3.2 61.2 1.0
CB A:CYS46 3.2 65.6 1.0
C5N A:NAI403 3.2 57.4 1.0
CB A:THR48 3.6 58.1 1.0
CB A:CYS174 3.7 56.7 1.0
C6N A:NAI403 4.0 57.7 1.0
C4N A:NAI403 4.2 59.4 1.0
CG A:HIS67 4.2 59.9 1.0
ND1 A:HIS67 4.2 59.1 1.0
CG2 A:THR48 4.5 57.4 1.0
CA A:CYS46 4.7 64.7 1.0
N A:THR48 4.7 63.3 1.0
CA A:THR48 4.8 56.9 1.0
OE1 A:GLU68 4.8 60.6 1.0
NH2 A:ARG369 4.9 67.5 1.0
CA A:CYS174 5.0 59.1 1.0

Cobalt binding site 2 out of 2 in 8eiy

Go back to Cobalt Binding Sites List in 8eiy
Cobalt binding site 2 out of 2 in the Cobalt(II)-Substituted S48T 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 S48T 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:76.9
occ:1.00
NE2 B:HIS67 2.1 60.4 1.0
SG B:CYS174 2.2 58.1 1.0
SG B:CYS46 2.3 68.0 1.0
O9 B:CXF404 2.4 66.2 1.0
CD2 B:HIS67 3.0 52.9 1.0
CB B:CYS46 3.1 61.8 1.0
CE1 B:HIS67 3.1 54.3 1.0
C7 B:CXF404 3.1 68.4 1.0
C5N B:NAI403 3.4 58.2 1.0
CB B:CYS174 3.6 57.9 1.0
OG1 B:THR48 3.6 52.8 1.0
C6N B:NAI403 3.9 57.0 1.0
CB B:THR48 3.9 52.6 1.0
CG B:HIS67 4.2 56.2 1.0
ND1 B:HIS67 4.2 52.7 1.0
C4N B:NAI403 4.3 61.3 1.0
NH2 B:ARG369 4.4 67.6 1.0
N8 B:CXF404 4.4 63.0 1.0
OE2 B:GLU68 4.4 68.1 1.0
CG B:GLU68 4.4 59.9 1.0
CA B:CYS46 4.5 59.1 1.0
CG2 B:THR48 4.8 53.4 1.0
N B:GLY175 4.8 58.8 1.0
N B:THR48 4.8 53.0 1.0
CA B:CYS174 4.9 63.0 1.0
CD B:GLU68 4.9 67.2 1.0

Reference:

C.Zheng, I.I.Mathews, S.G.Boxer. Structure of Cobalt(II)-Substituted S48T Horse Liver Alcohol Dehydrogenase at 2.55 Angstroms Resolution To Be Published.
Page generated: Tue Jul 30 19:51:35 2024

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