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Fluorine in PDB 6qed: Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide
Enzymatic activity of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide
All present enzymatic activity of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide:
3.4.11.18;
3.4.11.18;
Protein crystallography data
The structure of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide, PDB code: 6qed
was solved by
D.Musil,
T.Heinrich,
M.Lehmann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 44.70 / 1.80 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 89.300, 99.670, 101.080, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 17.5 / 19.8 |
Other elements in 6qed:
The structure of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide also contains other interesting chemical elements:
| Manganese | (Mn) | 2 atoms |
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide
(pdb code 6qed). 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 Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide, PDB code: 6qed:
In total only one binding site of Fluorine was determined in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide, PDB code: 6qed:
Fluorine binding site 1 out of 1 in 6qed
Go back to
Fluorine Binding Sites List in 6qed
Fluorine binding site 1 out
of 1 in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide
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 Methionine Aminopeptidase-2 in Complex; with An Inhibitor (S)-3-Hydroxy-2-Oxo-1-(2-Oxo-1,2,3,4-Tetrahydro- Quinolin-6-Yl)-Pyrrolidine-3-Carboxylic Acid 3-Chloro-5-Fluoro- Benzylamide within 5.0Å range:
|
Reference:
T.Heinrich,
J.Seenisamy,
B.Blume,
J.Bomke,
M.Calderini,
U.Eckert,
M.Friese-Hamim,
R.Kohl,
M.Lehmann,
B.Leuthner,
D.Musil,
F.Rohdich,
F.T.Zenke.
Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (Metap-2) Inhibitors. J.Med.Chem. V. 62 5025 2019.
ISSN: ISSN 0022-2623
PubMed: 30939017
DOI: 10.1021/ACS.JMEDCHEM.9B00041
Page generated: Fri Aug 2 00:47:52 2024
ISSN: ISSN 0022-2623
PubMed: 30939017
DOI: 10.1021/ACS.JMEDCHEM.9B00041
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