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Fluorine in PDB 4bgm: Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride
Enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride
All present enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride:
1.14.11.1;
1.14.11.1;
Protein crystallography data
The structure of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride, PDB code: 4bgm
was solved by
K.Tars,
J.Leitans,
A.Kazaks,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.27 / 2.40 |
| Space group | H 3 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 107.182, 107.182, 205.171, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 15.647 / 22.811 |
Other elements in 4bgm:
The structure of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride also contains other interesting chemical elements:
| Zinc | (Zn) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride
(pdb code 4bgm). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride, PDB code: 4bgm:
In total only one binding site of Fluorine was determined in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride, PDB code: 4bgm:
Fluorine binding site 1 out of 1 in 4bgm
Go back to
Fluorine Binding Sites List in 4bgm
Fluorine binding site 1 out
of 1 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-Carboxy-N-(2-Fluoroethyl)-N, N-Dimethylpropan-1-Aminium Chloride within 5.0Å range:
|
Reference:
K.Tars,
J.Leitans,
A.Kazaks,
D.Zelencova,
E.Liepinsh,
J.Kuka,
M.Makrecka,
D.Lola,
V.Andrianovs,
D.Gustina,
S.Grinberga,
E.Liepinsh,
I.Kalvinsh,
M.Dambrova,
E.Loza,
O.Pugovics.
Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem. V. 57 2213 2014.
ISSN: ISSN 0022-2623
PubMed: 24571165
DOI: 10.1021/JM401603E
Page generated: Sun Dec 13 11:59:30 2020
ISSN: ISSN 0022-2623
PubMed: 24571165
DOI: 10.1021/JM401603E
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