Zinc 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:

Cobalt (Co) 2 atoms

Zinc Binding Sites:

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

Zinc binding site 1 out of 2 in 8eix

Go back to Zinc Binding Sites List in 8eix
Zinc 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 Zinc with other atoms in the Zn 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:Zn402

b:51.9
occ:1.00
 SG A:CYS111 2.3 47.2 1.0
SG A:CYS97 2.3 52.7 1.0
SG A:CYS100 2.3 49.3 1.0
SG A:CYS103 2.3 42.6 1.0
CB A:CYS111 3.2 51.0 1.0
CB A:CYS103 3.4 49.0 1.0
CB A:CYS97 3.4 43.6 1.0
N A:CYS97 3.5 45.4 1.0
CB A:CYS100 3.6 47.5 1.0
CA A:CYS111 3.7 48.5 1.0
N A:CYS100 3.9 55.3 1.0
CA A:CYS97 3.9 46.4 1.0
N A:LEU112 4.0 51.2 1.0
N A:GLY98 4.1 52.5 1.0
N A:CYS103 4.3 47.9 1.0
C A:CYS111 4.3 56.0 1.0
CA A:CYS100 4.3 45.6 1.0
C A:CYS97 4.4 50.5 1.0
CA A:CYS103 4.4 55.2 1.0
N A:LYS99 4.5 59.5 1.0
C A:GLN96 4.6 48.2 1.0
CA A:GLN96 4.9 44.5 1.0
C A:CYS100 4.9 55.3 1.0
N A:LYS113 5.0 49.8 1.0
O A:CYS100 5.0 53.7 1.0

Zinc binding site 2 out of 2 in 8eix

Go back to Zinc Binding Sites List in 8eix
Zinc 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 Zinc with other atoms in the Zn 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:Zn402

b:69.9
occ:1.00
 SG B:CYS100 2.3 61.6 1.0
SG B:CYS111 2.3 69.0 1.0
SG B:CYS97 2.3 74.4 1.0
SG B:CYS103 2.3 69.4 1.0
CB B:CYS111 3.2 65.7 1.0
CB B:CYS103 3.3 67.9 1.0
CB B:CYS97 3.3 64.8 1.0
N B:CYS97 3.4 66.0 1.0
CB B:CYS100 3.5 63.8 1.0
N B:GLY98 3.7 72.4 1.0
CA B:CYS97 3.8 72.0 1.0
CA B:CYS111 3.9 64.3 1.0
N B:CYS100 4.0 71.8 1.0
N B:LEU112 4.1 61.0 1.0
C B:CYS97 4.2 76.6 1.0
N B:CYS103 4.3 68.9 1.0
CA B:CYS100 4.3 67.2 1.0
CA B:CYS103 4.4 68.6 1.0
C B:CYS111 4.4 65.4 1.0
N B:LYS99 4.4 67.3 1.0
C B:GLN96 4.5 71.1 1.0
CA B:GLY98 4.7 68.5 1.0
CA B:GLN96 4.8 69.0 1.0
N B:LYS113 4.8 68.1 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: Wed Oct 30 19:50:59 2024

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