Chlorine 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:

Fluorine

(F)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery, PDB code: 4zth:

Chlorine binding site 1 out of 1 in 4zth

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Chlorine Binding Sites List in 4zth

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:48.9 occ:1.00	CL7	A:VVT401	0.0	48.9	1.0
	C3	A:VVT401	1.8	40.6	1.0
	N2	A:VVT401	2.7	40.6	1.0
	C4	A:VVT401	2.8	40.0	1.0
	O	A:HOH577	3.1	52.3	1.0
	CA	A:GLY170	3.6	71.9	1.0
	CG	A:LEU171	3.7	65.5	1.0
	N	A:LEU171	3.8	67.3	1.0
	C	A:GLY170	3.9	72.1	1.0
	CD1	A:LEU167	4.0	53.9	1.0
	N1	A:VVT401	4.0	36.3	1.0
	O	A:HOH563	4.1	49.3	1.0
	O	A:HOH634	4.1	48.1	1.0
	C5	A:VVT401	4.1	41.3	1.0
	CD1	A:LEU171	4.1	62.4	1.0
	CB	A:LEU171	4.4	64.7	1.0
	C	A:VVT401	4.5	34.2	1.0
	CD2	A:LEU171	4.6	60.4	1.0
	CA	A:LEU171	4.7	66.3	1.0
	O	A:GLY170	4.7	72.8	1.0
	CD2	A:LEU167	4.9	61.0	1.0
	N	A:GLY170	4.9	64.0	1.0
	O	A:SER154	5.0	39.0	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: Fri Jul 26 04:51:25 2024

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