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Iodine in PDB 1hdy: 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: 1hdy 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 (°) 54.360, 44.890, 93.850, 92.65, 103.21, 68.77
R / Rfree (%) 18.5 / n/a

Other elements in 1hdy:

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 (Zn) 4 atoms

Iodine Binding Sites:

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

Iodine binding site 1 out of 2 in 1hdy

Go back to Iodine Binding Sites List in 1hdy
Iodine binding site 1 out of 2 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 Iodine with other atoms in the I 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:I378

b:34.5
occ:1.00
I4 A:PYZ378 0.0 34.5 1.0
C4 A:PYZ378 2.1 34.7 1.0
C3 A:PYZ378 3.1 31.8 1.0
C5 A:PYZ378 3.1 37.5 1.0
CD1 A:LEU116 3.9 20.1 1.0
CD2 A:LEU116 4.0 22.4 1.0
CE1 A:PHE93 4.0 3.8 1.0
CG2 A:THR48 4.1 29.8 1.0
N2 A:PYZ378 4.2 29.4 1.0
CD1 A:PHE93 4.2 2.0 1.0
CD1 A:LEU141 4.2 13.5 1.0
N1 A:PYZ378 4.2 36.8 1.0
CG A:LEU116 4.5 19.5 1.0
CD2 A:LEU141 4.5 15.1 1.0
CB A:LEU116 4.9 21.4 1.0
CZ A:PHE93 4.9 13.6 1.0
CG A:LEU141 5.0 9.9 1.0

Iodine binding site 2 out of 2 in 1hdy

Go back to Iodine Binding Sites List in 1hdy
Iodine binding site 2 out of 2 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 Iodine with other atoms in the I 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
B:I378

b:33.5
occ:1.00
I4 B:PYZ378 0.0 33.5 1.0
C4 B:PYZ378 2.0 22.8 1.0
C3 B:PYZ378 3.0 23.5 1.0
C5 B:PYZ378 3.1 23.3 1.0
CD2 B:LEU116 4.1 22.2 1.0
CD1 B:LEU116 4.1 25.7 1.0
CD1 B:LEU141 4.1 17.4 1.0
CG2 B:THR48 4.1 15.3 1.0
CD2 B:LEU141 4.2 21.9 1.0
N2 B:PYZ378 4.2 17.2 1.0
N1 B:PYZ378 4.2 23.4 1.0
CD1 B:PHE93 4.4 26.4 1.0
CG B:LEU116 4.6 26.9 1.0
CE1 B:PHE93 4.6 28.2 1.0
CG B:LEU141 4.7 20.1 1.0
OG1 B:THR48 4.8 13.8 1.0
CG2 B:VAL318 4.9 15.5 1.0
CB B:LEU116 5.0 27.4 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 Dec 13 19:19:46 2020

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