Fluorine »
PDB 4l3o-4luv »
4lbs »
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
Last articles
Zn in 9JPJZn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
