Fluorine in PDB 3obg: Conformational Plasticity of P38 Map Kinase Dfg Mutants in Response to Inhibitor Binding

Enzymatic activity of Conformational Plasticity of P38 Map Kinase Dfg Mutants in Response to Inhibitor Binding

All present enzymatic activity of Conformational Plasticity of P38 Map Kinase Dfg Mutants in Response to Inhibitor Binding:
2.7.11.24;

Protein crystallography data

The structure of Conformational Plasticity of P38 Map Kinase Dfg Mutants in Response to Inhibitor Binding, PDB code: 3obg was solved by H.V.Namboodiri, M.Karpusas, M.Bukhtiyarova, E.B.Springman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	30.25 / 2.80
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	65.118, 73.697, 77.080, 90.00, 90.00, 90.00
*R / R_free (%)*	21.4 / 32.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Conformational Plasticity of P38 Map Kinase Dfg Mutants in Response to Inhibitor Binding (pdb code 3obg). 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 Conformational Plasticity of P38 Map Kinase Dfg Mutants in Response to Inhibitor Binding, PDB code: 3obg:

Fluorine binding site 1 out of 1 in 3obg

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Fluorine Binding Sites List in 3obg

Fluorine binding site 1 out of 1 in the Conformational Plasticity of P38 Map Kinase Dfg Mutants in Response to Inhibitor Binding

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Conformational Plasticity of P38 Map Kinase Dfg Mutants in Response to Inhibitor Binding within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F361 b:44.5 occ:1.00	FD3	A:SB2361	0.0	44.5	1.0
	CD3	A:SB2361	1.4	44.2	1.0
	CD2	A:SB2361	2.3	42.8	1.0
	CD4	A:SB2361	2.4	44.4	1.0
	CB	A:LEU104	3.3	30.0	1.0
	N	A:VAL105	3.4	28.7	1.0
	C	A:LEU104	3.5	29.2	1.0
	CD1	A:SB2361	3.6	41.1	1.0
	CD5	A:SB2361	3.7	43.8	1.0
	C	A:VAL105	3.8	28.9	1.0
	CB	A:THR106	3.8	30.1	1.0
	N	A:THR106	3.8	29.0	1.0
	O	A:LEU104	3.8	28.6	1.0
	CA	A:VAL105	3.9	28.6	1.0
	CD1	A:LEU75	4.0	28.8	1.0
	CA	A:LEU104	4.0	30.3	1.0
	CD6	A:SB2361	4.1	42.8	1.0
	CD2	A:LEU86	4.1	22.6	1.0
	CG2	A:THR106	4.1	28.9	1.0
	O	A:VAL105	4.2	29.1	1.0
	CA	A:THR106	4.4	30.3	1.0
	O	A:ALA51	4.5	29.8	1.0
	CB	A:LYS53	4.6	29.6	1.0
	CG	A:LEU104	4.7	29.7	1.0
	OG1	A:THR106	4.7	30.0	1.0
	O	A:GLY85	4.9	23.7	1.0
	CD1	A:LEU104	4.9	29.5	1.0

Reference:

H.V.Namboodiri, E.B.Springman, M.Karpusas, M.Bukhtiyarova, J.Ramcharan. Conformational Plasticity of P38 Map Kinase Dfg Motif Mutants in Response to Inhibitor Binding To Be Published.

Page generated: Wed Jul 31 21:11:05 2024

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