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Atomistry » Fluorine » PDB 5mt0-5nk2 » 5nba | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 5mt0-5nk2 » 5nba » |
Fluorine in PDB 5nba: Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide]Enzymatic activity of Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide]
All present enzymatic activity of Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide]:
3.4.21.46; Protein crystallography data
The structure of Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide], PDB code: 5nba
was solved by
A.Mac Sweeney,
N.Ostermann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide]
(pdb code 5nba). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide], PDB code: 5nba: Jump to Fluorine binding site number: 1; 2; 3; 4; Fluorine binding site 1 out of 4 in 5nbaGo back to![]() ![]()
Fluorine binding site 1 out
of 4 in the Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide]
![]() Mono view ![]() Stereo pair view
Fluorine binding site 2 out of 4 in 5nbaGo back to![]() ![]()
Fluorine binding site 2 out
of 4 in the Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide]
![]() Mono view ![]() Stereo pair view
Fluorine binding site 3 out of 4 in 5nbaGo back to![]() ![]()
Fluorine binding site 3 out
of 4 in the Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide]
![]() Mono view ![]() Stereo pair view
Fluorine binding site 4 out of 4 in 5nbaGo back to![]() ![]()
Fluorine binding site 4 out
of 4 in the Complement Factor D in Complex with the Inhibitor (2S,4R)-4-Fluoro- Pyrrolidine-1,2-Dicarboxylic Acid 1-[(1-Carbamoyl-1H-Indol-3-Yl)- Amide] 2-[(3-Trifluoromethoxy-Phenyl)-Amide]
![]() Mono view ![]() Stereo pair view
Reference:
E.Lorthiois,
K.Anderson,
A.Vulpetti,
O.Rogel,
F.Cumin,
N.Ostermann,
S.Steinbacher,
A.Mac Sweeney,
O.Delgado,
S.M.Liao,
S.Randl,
S.Rudisser,
S.Dussauge,
K.Fettis,
L.Kieffer,
A.De Erkenez,
L.Yang,
C.Hartwieg,
U.A.Argikar,
L.R.La Bonte,
R.Newton,
V.Kansara,
S.Flohr,
U.Hommel,
B.Jaffee,
J.Maibaum.
Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem. V. 60 5717 2017.
Page generated: Tue Jul 15 05:28:12 2025
ISSN: ISSN 1520-4804 PubMed: 28621538 DOI: 10.1021/ACS.JMEDCHEM.7B00425 |
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