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Iodine in PDB 1htb: Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C

Enzymatic activity of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C

All present enzymatic activity of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C:
1.1.1.1;

Protein crystallography data

The structure of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C, PDB code: 1htb 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 / 2.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 54.030, 44.430, 92.740, 92.71, 103.17, 69.15
R / Rfree (%) 17.5 / 24.3

Other elements in 1htb:

The structure of Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C 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 BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C (pdb code 1htb). 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 BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C, PDB code: 1htb:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 1htb

Go back to Iodine Binding Sites List in 1htb
Iodine binding site 1 out of 2 in the Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C


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 BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I378

b:23.2
occ:1.00
I4 A:PYZ378 0.0 23.2 1.0
C4 A:PYZ378 2.2 20.1 1.0
C3 A:PYZ378 3.0 18.9 1.0
C5 A:PYZ378 3.2 18.0 1.0
CD1 A:LEU116 3.7 11.8 1.0
CD2 A:LEU116 4.0 11.8 1.0
CG2 A:THR48 4.1 4.3 1.0
N2 A:PYZ378 4.1 15.2 1.0
CD1 A:LEU141 4.2 3.6 1.0
N1 A:PYZ378 4.2 17.8 1.0
CG A:LEU116 4.4 16.2 1.0
CE1 A:PHE93 4.4 15.3 1.0
CD2 A:LEU141 4.5 11.7 1.0
CD1 A:PHE93 4.5 16.6 1.0
CG2 A:VAL294 5.0 4.1 1.0
CB A:LEU116 5.0 21.2 1.0
CG A:LEU141 5.0 11.7 1.0

Iodine binding site 2 out of 2 in 1htb

Go back to Iodine Binding Sites List in 1htb
Iodine binding site 2 out of 2 in the Crystallization of Human BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C


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 BETA3 Alcohol Dehydrogenase (10 Mg/Ml) in 100 Mm Sodium Phosphate (pH 7.5), 7.5 Mm Nad+ and 1 Mm 4-Iodopyrazole at 25 C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I378

b:32.9
occ:1.00
I4 B:PYZ378 0.0 32.9 1.0
C4 B:PYZ378 2.2 27.4 1.0
C3 B:PYZ378 3.1 23.4 1.0
C5 B:PYZ378 3.2 29.0 1.0
CD1 B:LEU116 3.4 34.7 1.0
CD1 B:LEU141 3.9 13.2 1.0
CD2 B:LEU116 4.1 30.1 1.0
CG2 B:THR48 4.2 24.2 1.0
CE1 B:PHE93 4.2 20.9 1.0
N2 B:PYZ378 4.2 16.8 1.0
N1 B:PYZ378 4.2 27.8 1.0
CD1 B:PHE93 4.3 19.0 1.0
CD2 B:LEU141 4.3 13.7 1.0
CG B:LEU116 4.3 30.5 1.0
CG2 B:VAL318 4.5 29.1 1.0
O B:HOH616 4.6 35.1 1.0
CG B:LEU141 4.7 17.5 1.0
CB B:LEU116 4.8 25.5 1.0
OG1 B:THR48 5.0 29.5 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 19:19:55 2020

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