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Zinc in PDB 1hdx: Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences

Enzymatic activity of Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences

All present enzymatic activity of Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences:
1.1.1.1;

Protein crystallography data

The structure of Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences, PDB code: 1hdx was solved by T.D.Hurley, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 54.580, 44.940, 94.300, 92.29, 103.37, 68.97
R / Rfree (%) 17.9 / n/a

Other elements in 1hdx:

The structure of Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences (pdb code 1hdx). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences, PDB code: 1hdx:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1hdx

Go back to Zinc Binding Sites List in 1hdx
Zinc binding site 1 out of 4 in the Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn375

b:29.2
occ:1.00
 SG A:CYS111 2.2 28.2 1.0
SG A:CYS103 2.3 23.0 1.0
SG A:CYS100 2.4 29.8 1.0
SG A:CYS97 2.4 30.6 1.0
CB A:CYS111 3.1 31.4 1.0
CB A:CYS97 3.3 23.0 1.0
CB A:CYS103 3.4 22.3 1.0
CB A:CYS100 3.4 24.0 1.0
N A:CYS97 3.7 21.8 1.0
CA A:CYS111 3.8 25.7 1.0
N A:CYS100 3.8 31.5 1.0
N A:LEU112 3.9 23.1 1.0
CA A:CYS97 3.9 22.1 1.0
N A:GLY98 4.0 25.0 1.0
N A:CYS103 4.2 28.8 1.0
CA A:CYS100 4.2 30.0 1.0
C A:CYS111 4.3 20.7 1.0
C A:CYS97 4.3 25.5 1.0
CA A:CYS103 4.4 28.0 1.0
N A:LYS99 4.5 30.2 1.0
C A:GLN96 4.7 24.3 1.0
N A:LYS113 4.7 28.9 1.0
C A:CYS100 4.9 32.7 1.0
CA A:LEU112 4.9 25.5 1.0
O A:CYS100 5.0 33.0 1.0
C A:LYS99 5.0 33.8 1.0
CA A:GLY98 5.0 23.5 1.0

Zinc binding site 2 out of 4 in 1hdx

Go back to Zinc Binding Sites List in 1hdx
Zinc binding site 2 out of 4 in the Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn376

b:37.3
occ:0.70
 SG A:CYS174 2.2 19.4 1.0
NE2 A:HIS67 2.2 21.9 1.0
SG A:CYS46 2.3 25.9 1.0
CE1 A:HIS67 3.1 22.1 1.0
CB A:CYS46 3.1 25.5 1.0
CD2 A:HIS67 3.1 11.5 1.0
CB A:CYS174 3.4 26.5 1.0
OG1 A:THR48 3.7 13.6 1.0
C5N A:NAD377 3.7 9.7 1.0
ND1 A:HIS67 4.1 22.8 1.0
CB A:THR48 4.2 17.5 1.0
CG A:HIS67 4.2 18.1 1.0
C6N A:NAD377 4.4 14.9 1.0
OE1 A:GLU68 4.4 30.8 1.0
CA A:CYS46 4.5 22.7 1.0
C4N A:NAD377 4.6 10.9 1.0
NH2 A:ARG369 4.8 11.4 1.0
CA A:CYS174 4.9 25.2 1.0
N A:GLY175 4.9 26.7 1.0
N A:THR48 5.0 9.9 1.0

Zinc binding site 3 out of 4 in 1hdx

Go back to Zinc Binding Sites List in 1hdx
Zinc binding site 3 out of 4 in the Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn375

b:31.6
occ:1.00
 SG B:CYS103 2.2 25.5 1.0
SG B:CYS111 2.2 35.0 1.0
SG B:CYS97 2.3 36.1 1.0
SG B:CYS100 2.4 37.1 1.0
CB B:CYS103 3.2 32.2 1.0
CB B:CYS111 3.2 36.7 1.0
CB B:CYS97 3.3 25.8 1.0
CB B:CYS100 3.5 29.1 1.0
N B:CYS97 3.6 16.4 1.0
N B:CYS100 3.9 31.3 1.0
CA B:CYS97 3.9 21.7 1.0
CA B:CYS111 3.9 30.4 1.0
N B:LEU112 4.2 28.9 1.0
N B:GLY98 4.2 28.4 1.0
CA B:CYS100 4.3 31.1 1.0
C B:CYS97 4.3 28.1 1.0
N B:CYS103 4.3 30.8 1.0
CA B:CYS103 4.3 32.7 1.0
C B:GLN96 4.5 14.8 1.0
N B:LYS99 4.5 30.2 1.0
C B:CYS111 4.5 28.2 1.0
NZ B:LYS99 4.7 48.8 1.0
O B:CYS100 4.8 30.9 1.0
C B:CYS100 4.9 32.9 1.0
CA B:GLN96 4.9 12.8 1.0
C B:LYS99 5.0 31.8 1.0

Zinc binding site 4 out of 4 in 1hdx

Go back to Zinc Binding Sites List in 1hdx
Zinc binding site 4 out of 4 in the Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Three-Dimensional Structures of Three Human Alcohol Dehydrogenase Variants: Correlations with Their Functional Differences within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn376

b:38.6
occ:0.60
 SG B:CYS174 2.1 29.4 1.0
NE2 B:HIS67 2.3 27.3 1.0
SG B:CYS46 2.4 30.8 1.0
OG1 B:THR48 3.0 35.2 1.0
CD2 B:HIS67 3.1 24.1 1.0
CE1 B:HIS67 3.2 17.8 1.0
CB B:CYS174 3.4 34.0 1.0
CB B:CYS46 3.4 29.6 1.0
C5N B:NAD377 3.5 19.5 1.0
CB B:THR48 4.0 29.4 1.0
C4N B:NAD377 4.1 17.2 1.0
C6N B:NAD377 4.1 20.9 1.0
CG B:HIS67 4.2 27.6 1.0
ND1 B:HIS67 4.3 26.4 1.0
CA B:CYS174 4.7 35.8 1.0
CE1 B:PHE93 4.7 34.0 1.0
OE1 B:GLU68 4.8 35.0 1.0
CG2 B:THR48 4.8 25.1 1.0
CA B:CYS46 4.9 26.0 1.0
CD1 B:PHE93 4.9 37.8 1.0
N B:GLY175 4.9 38.8 1.0
N B:THR48 5.0 22.9 1.0

Reference:

T.D.Hurley, W.F.Bosron, C.L.Stone, L.M.Amzel. Structures of Three Human Beta Alcohol Dehydrogenase Variants. Correlations with Their Functional Differences. J.Mol.Biol. V. 239 415 1994.
ISSN: ISSN 0022-2836
PubMed: 8201622
DOI: 10.1006/JMBI.1994.1382
Page generated: Sun Oct 13 02:09:01 2024

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