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Iodine in PDB 1deh: Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000

Enzymatic activity of Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000

All present enzymatic activity of Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000:
1.1.1.1;

Protein crystallography data

The structure of Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000, PDB code: 1deh was solved by T.D.Hurley, G.J.Davis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 54.040, 44.540, 93.320, 92.56, 103.26, 68.84
R / Rfree (%) 18 / 26.1

Other elements in 1deh:

The structure of Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000 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 Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000 (pdb code 1deh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000, PDB code: 1deh:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 1deh

Go back to Iodine Binding Sites List in 1deh
Iodine binding site 1 out of 2 in the Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I378

b:33.5
occ:1.00
I4 A:PYZ378 0.0 33.5 1.0
C4 A:PYZ378 2.2 25.9 1.0
C3 A:PYZ378 3.1 25.8 1.0
C5 A:PYZ378 3.2 28.0 1.0
CD1 A:LEU116 3.4 28.2 1.0
CD2 A:LEU116 3.8 30.6 1.0
CG2 A:THR48 4.0 9.8 1.0
CD1 A:LEU141 4.1 18.7 1.0
CG A:LEU116 4.1 28.9 1.0
N2 A:PYZ378 4.2 27.1 1.0
N1 A:PYZ378 4.3 28.5 1.0
CE1 A:PHE93 4.3 19.4 1.0
CD1 A:PHE93 4.4 22.2 1.0
CD2 A:LEU141 4.4 17.7 1.0
O A:HOH451 4.4 20.5 1.0
CB A:LEU116 4.8 25.3 1.0
CG2 A:VAL294 4.9 8.4 1.0
OG1 A:THR48 4.9 18.4 1.0
CG A:LEU141 4.9 13.8 1.0

Iodine binding site 2 out of 2 in 1deh

Go back to Iodine Binding Sites List in 1deh
Iodine binding site 2 out of 2 in the Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystallization of Human BETA1 Alcohol Dehydrogenase (15 Mg/Ml) in 50 Mm Sodium Phosphate (pH 7.5), 2.0 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 Oc, 13% (W/V) Peg 8000 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I378

b:39.2
occ:1.00
I4 B:PYZ378 0.0 39.2 1.0
C4 B:PYZ378 2.1 34.6 1.0
C3 B:PYZ378 3.0 34.4 1.0
C5 B:PYZ378 3.0 33.8 1.0
CD1 B:LEU116 3.7 34.4 1.0
CD1 B:LEU141 3.8 24.7 1.0
N2 B:PYZ378 4.1 34.0 1.0
N1 B:PYZ378 4.1 34.8 1.0
CD2 B:LEU116 4.1 30.9 1.0
CG2 B:THR48 4.2 23.3 1.0
CE1 B:PHE93 4.3 30.6 1.0
CD1 B:PHE93 4.4 26.4 1.0
CD2 B:LEU141 4.4 28.5 1.0
CG B:LEU116 4.4 31.2 1.0
CG B:LEU141 4.8 29.4 1.0
CB B:LEU116 4.8 31.9 1.0

Reference:

G.J.Davis, W.F.Bosron, C.L.Stone, K.Owusu-Dekyi, T.D.Hurley. X-Ray Structure of Human BETA3BETA3 Alcohol Dehydrogenase. the Contribution of Ionic Interactions to Coenzyme Binding. J.Biol.Chem. V. 271 17057 1996.
ISSN: ISSN 0021-9258
PubMed: 8663387
DOI: 10.1074/JBC.271.29.17057
Page generated: Sun Dec 13 19:19:20 2020

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