Fluorine in PDB 4zth: Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery

Enzymatic activity of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery

All present enzymatic activity of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery:
2.7.11.24;

Protein crystallography data

The structure of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery, PDB code: 4zth was solved by V.L.Grum-Tokars, S.M.Roy, D.M.Watterson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	30.00 / 2.15
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	65.767, 74.501, 77.669, 90.00, 90.00, 90.00
*R / R_free (%)*	18.1 / 24

Other elements in 4zth:

The structure of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery (pdb code 4zth). 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 Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery, PDB code: 4zth:

Fluorine binding site 1 out of 1 in 4zth

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Fluorine Binding Sites List in 4zth

Fluorine binding site 1 out of 1 in the Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F402 b:51.3 occ:1.00	F19	A:GG5402	0.0	51.3	1.0
	C16	A:GG5402	1.3	51.6	1.0
	C17	A:GG5402	2.4	46.0	1.0
	C15	A:GG5402	2.4	45.8	1.0
	CD1	A:LEU195	3.6	56.1	1.0
	CG	A:PRO242	3.6	47.0	1.0
	CD1	A:ILE259	3.6	70.2	1.0
	C14	A:GG5402	3.6	44.3	1.0
	C18	A:GG5402	3.6	44.1	1.0
	CG1	A:ILE259	3.7	69.9	1.0
	CD2	A:LEU236	3.9	41.6	1.0
	CD	A:PRO242	4.0	47.1	1.0
	CD1	A:LEU232	4.0	48.0	1.0
	C13	A:GG5402	4.1	43.7	1.0
	CD1	A:LEU236	4.2	42.1	1.0
	CD2	A:LEU232	4.4	51.9	1.0
	CG2	A:ILE259	4.5	62.6	1.0
	CG	A:LEU236	4.6	40.5	1.0
	CG	A:LEU195	4.7	54.8	1.0
	CG	A:LEU232	4.7	46.2	1.0
	CD2	A:LEU291	4.7	52.9	1.0
	CB	A:ILE259	4.8	64.3	1.0
	CB	A:PRO242	5.0	45.9	1.0

Reference:

V.L.Grum-Tokars, S.M.Roy, D.M.Watterson. Structure of Human P38AMAPK-Arylpyridazinylpyridine Scaffold Complex Used in Inhibitor Discovery To Be Published.

Page generated: Sun Dec 13 12:17:24 2020

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