Fluorine in PDB 4mk0: Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with A A Rationally Designed Paroxetine Derivative

Enzymatic activity of Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with A A Rationally Designed Paroxetine Derivative

All present enzymatic activity of Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with A A Rationally Designed Paroxetine Derivative:
2.7.11.15;

Protein crystallography data

The structure of Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with A A Rationally Designed Paroxetine Derivative, PDB code: 4mk0 was solved by K.T.Homan, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.99 / 2.40
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	61.222, 240.973, 212.083, 90.00, 90.00, 90.00
*R / R_free (%)*	17.5 / 23.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with A A Rationally Designed Paroxetine Derivative (pdb code 4mk0). 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 G Protein-Coupled Receptor Kinase 2 in Complex with A A Rationally Designed Paroxetine Derivative, PDB code: 4mk0:

Fluorine binding site 1 out of 1 in 4mk0

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Fluorine Binding Sites List in 4mk0

Fluorine binding site 1 out of 1 in the Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with A A Rationally Designed Paroxetine Derivative

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 G Protein-Coupled Receptor Kinase 2 in Complex with A A Rationally Designed Paroxetine Derivative within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F702 b:84.5 occ:1.00	F21	A:29X702	0.0	84.5	1.0
	C4	A:29X702	1.3	84.6	1.0
	C5	A:29X702	2.4	86.4	1.0
	C3	A:29X702	2.4	84.7	1.0
	C	A:GLY203	3.2	93.8	1.0
	O	A:GLY203	3.3	97.5	1.0
	CD2	A:LEU222	3.5	77.9	1.0
	CA	A:GLY203	3.6	96.2	1.0
	C6	A:29X702	3.6	88.6	1.0
	N	A:GLU204	3.7	87.7	1.0
	C2	A:29X702	3.7	87.3	1.0
	N	A:GLY203	3.7	0.9	1.0
	CE	A:LYS220	3.7	76.6	1.0
	CG	A:LYS220	4.0	70.6	1.0
	C1	A:29X702	4.1	88.8	1.0
	CA	A:GLY200	4.2	0.1	1.0
	N	A:GLY200	4.2	0.3	1.0
	CA	A:GLU204	4.2	86.4	1.0
	CD	A:LYS220	4.3	71.1	1.0
	C	A:GLU204	4.4	78.5	1.0
	O	A:GLU204	4.4	75.7	1.0
	NZ	A:LYS220	4.5	79.7	1.0
	CG2	A:VAL205	4.6	68.9	1.0
	C	A:GLY200	4.7	0.3	1.0
	C	A:PHE202	4.8	0.6	1.0
	O	A:GLY200	4.9	0.4	1.0
	CG	A:LEU222	5.0	75.9	1.0

Reference:

K.T.Homan, E.Wu, M.W.Wilson, P.Singh, S.D.Larsen, J.J.Tesmer. Structural and Functional Analysis of G Protein-Coupled Receptor Kinase Inhibition By Paroxetine and A Rationally Designed Analog. Mol.Pharmacol. V. 85 237 2014.
ISSN: ISSN 0026-895X
PubMed: 24220010
DOI: 10.1124/MOL.113.089631

Page generated: Mon Jul 14 23:19:52 2025

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