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Chlorine 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:

Iodine (I) 2 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was 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:

Chlorine binding site 1 out of 1 in 1deh

Go back to Chlorine Binding Sites List in 1deh
Chlorine binding site 1 out of 1 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 Chlorine with other atoms in the Cl 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
B:Cl601

b:47.4
occ:0.55
NH2 B:ARG128 3.6 26.4 1.0
NE B:ARG128 3.7 25.9 1.0
N B:ARG128 3.9 24.2 1.0
O B:HOH681 4.0 58.0 1.0
CZ B:ARG128 4.1 25.6 1.0
CB B:ARG128 4.3 24.0 1.0
O B:ARG128 4.3 29.9 1.0
CA B:ARG128 4.5 26.6 1.0
CB B:THR127 4.6 14.9 1.0
CA B:THR127 4.8 21.9 1.0
C B:ARG128 4.8 29.3 1.0
C B:THR127 4.9 23.7 1.0
CB B:PRO136 4.9 32.6 1.0
CG2 B:THR127 4.9 10.5 1.0
CD B:ARG128 4.9 26.8 1.0
CG B:ARG128 4.9 24.5 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: Thu Jul 10 16:38:38 2025

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