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Fluorine in PDB 4lbs: Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid
Enzymatic activity of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid
All present enzymatic activity of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid:
1.1.1.21;
1.1.1.21;
Protein crystallography data
The structure of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid, PDB code: 4lbs
was solved by
A.Cousido-Siah,
A.Mitschler,
F.X.Ruiz,
J.Fanfrlik,
M.Kolar,
P.Hobza,
A.Podjarny,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 38.60 / 0.76 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.297, 66.903, 47.304, 90.00, 92.46, 90.00 |
| R / Rfree (%) | 13.2 / 13.4 |
Other elements in 4lbs:
The structure of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid also contains other interesting chemical elements:
| Bromine | (Br) | 1 atom |
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid
(pdb code 4lbs). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid, PDB code: 4lbs:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid, PDB code: 4lbs:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 4lbs
Go back to
Fluorine Binding Sites List in 4lbs
Fluorine binding site 1 out
of 2 in the Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid
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 Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 4lbs
Go back to
Fluorine Binding Sites List in 4lbs
Fluorine binding site 2 out
of 2 in the Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid
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 2 of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4-Bromo-2, 6-Difluorobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid within 5.0Å range:
|
Reference:
J.Fanfrlik,
M.Kolar,
M.Kamlar,
D.Hurny,
F.X.Ruiz,
A.Cousido-Siah,
A.Mitschler,
J.Rezac,
E.Munusamy,
M.Lepsik,
P.Matejicek,
J.Vesely,
A.Podjarny,
P.Hobza.
Modulation of Aldose Reductase Inhibition By Halogen Bond Tuning. Acs Chem.Biol. V. 8 2484 2013.
ISSN: ISSN 1554-8929
PubMed: 23988122
DOI: 10.1021/CB400526N
Page generated: Thu Aug 1 03:25:45 2024
ISSN: ISSN 1554-8929
PubMed: 23988122
DOI: 10.1021/CB400526N
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