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Atomistry » Fluorine » PDB 4qte-4rv6 » 4qte » |
Fluorine in PDB 4qte: Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-CarboxamideEnzymatic activity of Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide
All present enzymatic activity of Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide:
2.7.11.24; Protein crystallography data
The structure of Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide, PDB code: 4qte
was solved by
A.Chaikuad,
P.Savitsky,
F.Von Delft,
C.H.Arrowsmith,
A.M.Edwards,
C.Bountra,
S.Knapp,
Structural Genomics Consortium (Sgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4qte:
The structure of Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide
(pdb code 4qte). 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 Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide, PDB code: 4qte: Fluorine binding site 1 out of 1 in 4qteGo back to Fluorine Binding Sites List in 4qte
Fluorine binding site 1 out
of 1 in the Structure of ERK2 in Complex with Vtx-11E, 4-{2-[(2-Chloro-4- Fluorophenyl)Amino]-5-Methylpyrimidin-4-Yl}-N-[(1S)-1-(3- Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide
Mono view Stereo pair view
Reference:
A.Chaikuad,
E.M C Tacconi,
J.Zimmer,
Y.Liang,
N.S.Gray,
M.Tarsounas,
S.Knapp.
A Unique Inhibitor Binding Site in ERK1/2 Is Associated with Slow Binding Kinetics. Nat.Chem.Biol. V. 10 853 2014.
Page generated: Sun Dec 13 12:11:49 2020
ISSN: ISSN 1552-4450 PubMed: 25195011 DOI: 10.1038/NCHEMBIO.1629 |
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