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Chlorine in PDB 6g8x: Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2
Enzymatic activity of Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2
All present enzymatic activity of Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2:
2.7.11.24;
2.7.11.24;
Protein crystallography data
The structure of Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2, PDB code: 6g8x
was solved by
M.O'reilly,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 44.41 / 1.76 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 48.823, 70.741, 60.590, 90.00, 109.69, 90.00 |
| R / Rfree (%) | 16.5 / 21.7 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2
(pdb code 6g8x). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2, PDB code: 6g8x:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2, PDB code: 6g8x:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 6g8x
Go back to
Chlorine Binding Sites List in 6g8x
Chlorine binding site 1 out
of 2 in the Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2 within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 6g8x
Go back to
Chlorine Binding Sites List in 6g8x
Chlorine binding site 2 out
of 2 in the Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Fragment-Based Discovery of A Highly Potent, Orally Bioavailable Inhibitor Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2 within 5.0Å range:
|
Reference:
T.D.Heightman,
V.Berdini,
H.Braithwaite,
I.M.Buck,
M.Cassidy,
J.Castro,
A.Courtin,
J.E.H.Day,
C.East,
L.Fazal,
B.Graham,
C.M.Griffiths-Jones,
J.F.Lyons,
V.Martins,
S.Muench,
J.M.Munck,
D.Norton,
M.O'reilly,
N.Palmer,
P.Pathuri,
M.Reader,
D.C.Rees,
S.J.Rich,
C.Richardson,
H.Saini,
N.T.Thompson,
N.G.Wallis,
H.Walton,
N.E.Wilsher,
A.J.Woolford,
M.Cooke,
D.Cousin,
S.Onions,
J.Shannon,
J.Watts,
C.W.Murray.
Fragment-Based Discovery of A Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem. V. 61 4978 2018.
ISSN: ISSN 1520-4804
PubMed: 29775310
DOI: 10.1021/ACS.JMEDCHEM.8B00421
Page generated: Sat Jul 27 23:52:27 2024
ISSN: ISSN 1520-4804
PubMed: 29775310
DOI: 10.1021/ACS.JMEDCHEM.8B00421
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