Fluorine in PDB 7jur: Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib

Enzymatic activity of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib

All present enzymatic activity of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib:
2.7.11.1; 2.7.12.2;

Protein crystallography data

The structure of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib, PDB code: 7jur was solved by Z.M.Khan, A.C.Dar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	46.90 / 2.82
*Space group*	P 6₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	140.000, 140.000, 222.000, 90.00, 90.00, 120.00
*R / R_free (%)*	23.7 / 27.7

Other elements in 7jur:

The structure of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Iodine	(I)	1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib (pdb code 7jur). 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 Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib, PDB code: 7jur:

Fluorine binding site 1 out of 1 in 7jur

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Fluorine Binding Sites List in 7jur

Fluorine binding site 1 out of 1 in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib

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 KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor Trametinib within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:F402 b:0.8 occ:1.00	F18	C:QOM402	0.0	0.8	1.0
	C12	C:QOM402	1.4	96.1	1.0
	C11	C:QOM402	2.4	92.0	1.0
	C13	C:QOM402	2.4	0.3	1.0
	N10	C:QOM402	2.9	92.5	1.0
	CD	C:LYS97	3.1	0.9	1.0
	OD2	C:ASP208	3.3	98.6	1.0
	C16	C:QOM402	3.6	92.9	1.0
	C14	C:QOM402	3.7	0.8	1.0
	NZ	C:LYS97	3.7	91.5	1.0
	CD1	C:ILE141	3.8	90.9	1.0
	O20	C:QOM402	3.9	86.9	1.0
	SD	C:MET143	3.9	0.2	1.0
	CG2	C:ILE141	4.0	0.9	1.0
	CE	C:LYS97	4.1	0.7	1.0
	CB	C:ILE141	4.1	0.2	1.0
	C15	C:QOM402	4.1	93.5	1.0
	CG	C:LYS97	4.3	0.1	1.0
	CB	C:LYS97	4.3	0.8	1.0
	C05	C:QOM402	4.4	86.9	1.0
	CG	C:ASP208	4.6	94.8	1.0
	CG1	C:ILE141	4.6	1.0	1.0
	CG	C:MET143	4.6	0.1	1.0
	C19	C:QOM402	4.9	88.1	1.0

Reference:

Z.M.Khan, A.M.Real, W.M.Marsiglia, A.Chow, M.E.Duffy, J.R.Yerabolu, A.P.Scopton, A.C.Dar. Structural Basis For the Action of the Drug Trametinib at Ksr-Bound Mek. Nature 2020.
ISSN: ESSN 1476-4687
PubMed: 32927473
DOI: 10.1038/S41586-020-2760-4

Page generated: Fri Aug 2 08:03:05 2024

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