Fluorine in PDB 4epx: Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation

Enzymatic activity of Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation

All present enzymatic activity of Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation:
3.6.5.2;

Protein crystallography data

The structure of Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation, PDB code: 4epx was solved by Q.Sun, J.P.Burke, J.Phan, M.C.Burns, E.T.Olejniczak, A.G.Waterson, T.Lee, O.W.Rossanese, S.W.Fesik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.86 / 1.76
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	39.132, 41.473, 91.726, 90.00, 90.00, 90.00
*R / R_free (%)*	15.1 / 20.1

Other elements in 4epx:

The structure of Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation (pdb code 4epx). 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 Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation, PDB code: 4epx:

Fluorine binding site 1 out of 1 in 4epx

Go back to

Fluorine Binding Sites List in 4epx

Fluorine binding site 1 out of 1 in the Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos- Mediated Activation within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F203 b:26.9 occ:1.00	FAG	A:0QR203	0.0	26.9	1.0
	CAF	A:0QR203	1.3	28.6	1.0
	CAH	A:0QR203	2.3	30.2	1.0
	CAE	A:0QR203	2.4	21.9	1.0
	O	A:HOH415	3.2	36.7	1.0
	OE2	A:GLU37	3.3	17.8	1.0
	OE2	A:GLU62	3.4	15.2	1.0
	CAD	A:0QR203	3.6	27.0	1.0
	CAI	A:0QR203	3.6	29.2	1.0
	CD	A:GLU62	3.8	13.0	1.0
	CD2	A:TYR71	3.8	8.3	1.0
	O	A:MET67	3.8	10.6	1.0
	OE1	A:GLU62	3.8	13.9	1.0
	CB	A:MET67	4.0	11.9	1.0
	CAC	A:0QR203	4.1	28.1	1.0
	CE	A:MET67	4.3	15.3	1.0
	C	A:MET67	4.3	10.3	1.0
	CD	A:GLU37	4.5	16.8	1.0
	CE2	A:TYR71	4.5	9.1	1.0
	CA	A:MET67	4.6	10.5	1.0
	CB	A:TYR71	4.7	10.3	1.0
	CG	A:GLU62	4.7	14.1	1.0
	CG	A:TYR71	4.7	8.1	1.0
	CG	A:MET67	4.8	10.1	1.0

Reference:

Q.Sun, J.P.Burke, J.Phan, M.C.Burns, E.T.Olejniczak, A.G.Waterson, T.Lee, O.W.Rossanese, S.W.Fesik. Discovery of Small Molecules That Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl. V. 51 6140 2012.
ISSN: ISSN 1433-7851
PubMed: 22566140
DOI: 10.1002/ANIE.201201358

Page generated: Thu Aug 1 01:21:28 2024

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