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Fluorine in PDB 4jlg: SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
Enzymatic activity of SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
All present enzymatic activity of SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine:
2.1.1.43;
2.1.1.43;
Protein crystallography data
The structure of SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine, PDB code: 4jlg
was solved by
A.Dong,
H.Wu,
H.Zeng,
M.El Bakkouri,
D.Barsyte,
M.Vedadi,
J.Tatlock,
D.Owen,
M.Bunnage,
C.Bountra,
C.H.Arrowsmith,
A.M.Edwards,
P.J.Brown,
Structuralgenomics Consortium (Sgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 30.75 / 1.90 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 46.742, 57.984, 64.932, 83.33, 71.42, 70.93 |
| R / Rfree (%) | 21.1 / 23.7 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
(pdb code 4jlg). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine, PDB code: 4jlg:
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine, PDB code: 4jlg:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Fluorine binding site 1 out of 8 in 4jlg
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Fluorine Binding Sites List in 4jlg
Fluorine binding site 1 out
of 8 in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine within 5.0Å range:
|
Fluorine binding site 2 out of 8 in 4jlg
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Fluorine Binding Sites List in 4jlg
Fluorine binding site 2 out
of 8 in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine within 5.0Å range:
|
Fluorine binding site 3 out of 8 in 4jlg
Go back to
Fluorine Binding Sites List in 4jlg
Fluorine binding site 3 out
of 8 in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine within 5.0Å range:
|
Fluorine binding site 4 out of 8 in 4jlg
Go back to
Fluorine Binding Sites List in 4jlg
Fluorine binding site 4 out
of 8 in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine within 5.0Å range:
|
Fluorine binding site 5 out of 8 in 4jlg
Go back to
Fluorine Binding Sites List in 4jlg
Fluorine binding site 5 out
of 8 in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine within 5.0Å range:
|
Fluorine binding site 6 out of 8 in 4jlg
Go back to
Fluorine Binding Sites List in 4jlg
Fluorine binding site 6 out
of 8 in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine within 5.0Å range:
|
Fluorine binding site 7 out of 8 in 4jlg
Go back to
Fluorine Binding Sites List in 4jlg
Fluorine binding site 7 out
of 8 in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine within 5.0Å range:
|
Fluorine binding site 8 out of 8 in 4jlg
Go back to
Fluorine Binding Sites List in 4jlg
Fluorine binding site 8 out
of 8 in the SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine
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 SETD7 in Complex with Inhibitor (R)-Pfi-2 and S-Adenosyl-Methionine within 5.0Å range:
|
Reference:
D.Barsyte-Lovejoy,
F.Li,
M.J.Oudhoff,
J.H.Tatlock,
A.Dong,
H.Zeng,
H.Wu,
S.A.Freeman,
M.Schapira,
G.A.Senisterra,
E.Kuznetsova,
R.Marcellus,
A.Allali-Hassani,
S.Kennedy,
J.P.Lambert,
A.L.Couzens,
A.Aman,
A.C.Gingras,
R.Al-Awar,
P.V.Fish,
B.S.Gerstenberger,
L.Roberts,
C.L.Benn,
R.L.Grimley,
M.J.Braam,
F.M.Rossi,
M.Sudol,
P.J.Brown,
M.E.Bunnage,
D.R.Owen,
C.Zaph,
M.Vedadi,
C.H.Arrowsmith.
(R)-Pfi-2 Is A Potent and Selective Inhibitor of SETD7 Methyltransferase Activity in Cells. Proc.Natl.Acad.Sci.Usa V. 111 12853 2014.
ISSN: ISSN 0027-8424
PubMed: 25136132
DOI: 10.1073/PNAS.1407358111
Page generated: Sun Dec 13 12:05:26 2020
ISSN: ISSN 0027-8424
PubMed: 25136132
DOI: 10.1073/PNAS.1407358111
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