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Zinc in PDB 1hdz: 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: 1hdz 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 (°) 53.560, 44.260, 93.010, 92.36, 103.63, 68.84
R / Rfree (%) 19.4 / n/a

Other elements in 1hdz:

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 1hdz). 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: 1hdz:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1hdz

Go back to Zinc Binding Sites List in 1hdz
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:36.0
occ:1.00
 SG A:CYS111 2.2 30.1 1.0
SG A:CYS100 2.3 30.8 1.0
SG A:CYS97 2.3 34.1 1.0
SG A:CYS103 2.3 31.3 1.0
CB A:CYS111 3.2 29.8 1.0
CB A:CYS100 3.3 21.0 1.0
CB A:CYS97 3.3 27.1 1.0
CB A:CYS103 3.3 32.5 1.0
N A:CYS97 3.5 23.1 1.0
N A:CYS100 3.7 27.4 1.0
CA A:CYS111 3.8 24.8 1.0
CA A:CYS97 3.8 24.8 1.0
N A:LEU112 3.9 28.5 1.0
N A:GLY98 4.0 26.6 1.0
CA A:CYS100 4.1 26.4 1.0
N A:CYS103 4.2 31.4 1.0
C A:CYS97 4.2 28.2 1.0
CA A:CYS103 4.3 34.1 1.0
C A:CYS111 4.4 24.7 1.0
C A:GLN96 4.5 25.2 1.0
N A:LYS99 4.5 25.7 1.0
C A:CYS100 4.7 30.8 1.0
O A:CYS100 4.8 29.4 1.0
N A:LYS113 4.9 25.3 1.0
C A:LYS99 4.9 29.4 1.0
CA A:GLN96 4.9 21.4 1.0
CA A:LEU112 5.0 32.6 1.0

Zinc binding site 2 out of 4 in 1hdz

Go back to Zinc Binding Sites List in 1hdz
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:26.7
occ:0.75
 SG A:CYS174 2.1 17.0 1.0
SG A:CYS46 2.3 18.4 1.0
NE2 A:HIS67 2.3 19.6 1.0
O A:HOH400 2.8 36.1 1.0
CD2 A:HIS67 3.1 11.3 1.0
CE1 A:HIS67 3.2 14.1 1.0
CB A:CYS46 3.3 26.1 1.0
C5N A:NAD377 3.3 16.1 1.0
CB A:CYS174 3.4 20.6 1.0
OG1 A:THR48 3.5 24.2 1.0
C6N A:NAD377 3.8 16.0 1.0
CB A:THR48 4.0 22.9 1.0
C4N A:NAD377 4.2 15.2 1.0
CG A:HIS67 4.2 16.8 1.0
ND1 A:HIS67 4.3 22.1 1.0
CA A:CYS46 4.7 24.3 1.0
CA A:CYS174 4.7 21.7 1.0
OE1 A:GLU68 4.8 22.4 1.0
NH2 A:ARG369 4.8 9.3 1.0
N A:GLY175 4.8 23.5 1.0
N A:THR48 4.9 17.9 1.0
C A:CYS174 4.9 22.9 1.0
N1N A:NAD377 5.0 14.2 1.0
CG2 A:THR48 5.0 14.9 1.0

Zinc binding site 3 out of 4 in 1hdz

Go back to Zinc Binding Sites List in 1hdz
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:29.6
occ:1.00
 SG B:CYS103 2.2 20.4 1.0
SG B:CYS111 2.2 31.0 1.0
SG B:CYS100 2.3 34.2 1.0
SG B:CYS97 2.4 30.6 1.0
CB B:CYS111 3.2 32.0 1.0
CB B:CYS103 3.2 24.4 1.0
CB B:CYS97 3.3 22.2 1.0
CB B:CYS100 3.4 26.4 1.0
N B:CYS97 3.6 20.9 1.0
N B:CYS100 3.8 33.0 1.0
CA B:CYS111 3.8 23.2 1.0
CA B:CYS97 3.8 21.0 1.0
N B:LEU112 4.1 17.0 1.0
C B:CYS97 4.1 23.2 1.0
N B:GLY98 4.2 22.4 1.0
N B:CYS103 4.2 26.1 1.0
CA B:CYS100 4.2 29.5 1.0
CA B:CYS103 4.3 27.7 1.0
C B:CYS111 4.4 19.1 1.0
N B:LYS99 4.5 25.3 1.0
C B:GLN96 4.5 18.8 1.0
O B:CYS100 4.8 26.1 1.0
C B:CYS100 4.8 28.6 1.0
O B:CYS97 4.9 26.4 1.0
CA B:GLN96 4.9 14.9 1.0
C B:LYS99 4.9 35.1 1.0

Zinc binding site 4 out of 4 in 1hdz

Go back to Zinc Binding Sites List in 1hdz
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:34.0
occ:0.66
 SG B:CYS174 2.1 28.6 1.0
NE2 B:HIS67 2.3 27.7 1.0
SG B:CYS46 2.4 33.2 1.0
CD2 B:HIS67 3.1 20.0 1.0
O B:HOH623 3.1 32.8 1.0
CE1 B:HIS67 3.2 22.6 1.0
CB B:CYS46 3.4 31.1 1.0
CB B:CYS174 3.4 28.8 1.0
C5N B:NAD377 3.5 36.4 1.0
OG1 B:THR48 3.6 19.8 1.0
C6N B:NAD377 4.0 38.5 1.0
CB B:THR48 4.0 23.8 1.0
CG B:HIS67 4.3 25.7 1.0
C4N B:NAD377 4.3 37.4 1.0
ND1 B:HIS67 4.3 26.3 1.0
CE1 B:PHE93 4.6 34.7 1.0
N B:THR48 4.7 16.1 1.0
CA B:CYS174 4.8 32.2 1.0
N B:GLY175 4.8 31.6 1.0
CA B:CYS46 4.8 26.7 1.0
CD1 B:PHE93 4.9 34.2 1.0
CZ B:PHE93 5.0 34.5 1.0
NH2 B:ARG369 5.0 28.7 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 02:11:52 2024

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