Fluorine in PDB 6r5f: Crystal Structure of RIP1 Kinase in Complex with DHP77
Enzymatic activity of Crystal Structure of RIP1 Kinase in Complex with DHP77
All present enzymatic activity of Crystal Structure of RIP1 Kinase in Complex with DHP77:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of RIP1 Kinase in Complex with DHP77, PDB code: 6r5f
was solved by
J.H.Thorpe,
N.Campobasso,
P.A.Harris,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 69.46 / 3.25 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 45.858, 138.919, 96.534, 90.00, 96.50, 90.00 |
| R / Rfree (%) | 24.3 / 28.9 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of RIP1 Kinase in Complex with DHP77
(pdb code 6r5f). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of RIP1 Kinase in Complex with DHP77, PDB code: 6r5f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
In total 8 binding sites of Fluorine where determined in the Crystal Structure of RIP1 Kinase in Complex with DHP77, PDB code: 6r5f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Fluorine binding site 1 out of 8 in 6r5f
Go back to
Fluorine Binding Sites List in 6r5f
Fluorine binding site 1 out
of 8 in the Crystal Structure of RIP1 Kinase in Complex with DHP77
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 RIP1 Kinase in Complex with DHP77 within 5.0Å range:
|
Fluorine binding site 2 out of 8 in 6r5f
Go back to
Fluorine Binding Sites List in 6r5f
Fluorine binding site 2 out
of 8 in the Crystal Structure of RIP1 Kinase in Complex with DHP77
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 RIP1 Kinase in Complex with DHP77 within 5.0Å range:
|
Fluorine binding site 3 out of 8 in 6r5f
Go back to
Fluorine Binding Sites List in 6r5f
Fluorine binding site 3 out
of 8 in the Crystal Structure of RIP1 Kinase in Complex with DHP77
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 3 of Crystal Structure of RIP1 Kinase in Complex with DHP77 within 5.0Å range:
|
Fluorine binding site 4 out of 8 in 6r5f
Go back to
Fluorine Binding Sites List in 6r5f
Fluorine binding site 4 out
of 8 in the Crystal Structure of RIP1 Kinase in Complex with DHP77
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 4 of Crystal Structure of RIP1 Kinase in Complex with DHP77 within 5.0Å range:
|
Fluorine binding site 5 out of 8 in 6r5f
Go back to
Fluorine Binding Sites List in 6r5f
Fluorine binding site 5 out
of 8 in the Crystal Structure of RIP1 Kinase in Complex with DHP77
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 5 of Crystal Structure of RIP1 Kinase in Complex with DHP77 within 5.0Å range:
|
Fluorine binding site 6 out of 8 in 6r5f
Go back to
Fluorine Binding Sites List in 6r5f
Fluorine binding site 6 out
of 8 in the Crystal Structure of RIP1 Kinase in Complex with DHP77
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 6 of Crystal Structure of RIP1 Kinase in Complex with DHP77 within 5.0Å range:
|
Fluorine binding site 7 out of 8 in 6r5f
Go back to
Fluorine Binding Sites List in 6r5f
Fluorine binding site 7 out
of 8 in the Crystal Structure of RIP1 Kinase in Complex with DHP77
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 7 of Crystal Structure of RIP1 Kinase in Complex with DHP77 within 5.0Å range:
|
Fluorine binding site 8 out of 8 in 6r5f
Go back to
Fluorine Binding Sites List in 6r5f
Fluorine binding site 8 out
of 8 in the Crystal Structure of RIP1 Kinase in Complex with DHP77
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 8 of Crystal Structure of RIP1 Kinase in Complex with DHP77 within 5.0Å range:
|
Reference:
P.A.Harris,
N.Faucher,
N.George,
P.M.Eidam,
B.W.King,
G.V.White,
N.A.Anderson,
D.Bandyopadhyay,
A.M.Beal,
V.Beneton,
S.B.Berger,
N.Campobasso,
S.Campos,
C.A.Capriotti,
J.A.Cox,
A.Daugan,
F.Donche,
M.H.Fouchet,
J.N.Finger,
B.Geddes,
P.J.Gough,
P.Grondin,
B.L.Hoffman,
S.J.Hoffman,
S.E.Hutchinson,
J.U.Jeong,
E.Jigorel,
P.Lamoureux,
L.K.Leister,
J.D.Lich,
M.K.Mahajan,
J.Meslamani,
J.E.Mosley,
R.Nagilla,
P.M.Nassau,
S.L.Ng,
M.T.Ouellette,
K.K.Pasikanti,
F.Potvain,
M.A.Reilly,
E.J.Rivera,
S.Sautet,
M.C.Schaeffer,
C.A.Sehon,
H.Sun,
J.H.Thorpe,
R.D.Totoritis,
P.Ward,
N.Wellaway,
D.D.Wisnoski,
J.M.Woolven,
J.Bertin,
R.W.Marquis.
Discovery and Lead-Optimization of 4,5-Dihydropyrazoles As Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase. J.Med.Chem. V. 62 5096 2019.
ISSN: ISSN 0022-2623
PubMed: 31013427
DOI: 10.1021/ACS.JMEDCHEM.9B00318
Page generated: Sun Dec 13 13:09:29 2020
ISSN: ISSN 0022-2623
PubMed: 31013427
DOI: 10.1021/ACS.JMEDCHEM.9B00318
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