Fluorine in PDB 3v5w: Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine

Enzymatic activity of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine

All present enzymatic activity of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine:
2.7.11.15;

Protein crystallography data

The structure of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine, PDB code: 3v5w was solved by D.M.Thal, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	24.53 / 2.07
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	194.973, 71.011, 111.169, 90.00, 110.41, 90.00
*R / R_free (%)*	19.3 / 24.7

Other elements in 3v5w:

The structure of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine (pdb code 3v5w). 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 Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine, PDB code: 3v5w:

Fluorine binding site 1 out of 1 in 3v5w

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Fluorine Binding Sites List in 3v5w

Fluorine binding site 1 out of 1 in the Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F701 b:59.6 occ:1.00	FAA	A:8PR701	0.0	59.6	1.0
	CAR	A:8PR701	1.3	57.1	1.0
	CAB	A:8PR701	2.4	56.9	1.0
	CAC	A:8PR701	2.4	57.1	1.0
	CD2	A:LEU222	3.2	64.1	1.0
	O	A:GLY203	3.3	62.5	1.0
	C	A:GLY203	3.4	63.8	1.0
	N	A:GLY203	3.5	66.3	1.0
	CAE	A:8PR701	3.6	56.9	1.0
	CAF	A:8PR701	3.6	57.0	1.0
	CA	A:GLY203	3.8	65.1	1.0
	CE	A:LYS220	3.8	60.2	1.0
	N	A:GLU204	4.0	63.1	1.0
	CAT	A:8PR701	4.1	57.2	1.0
	CG	A:LYS220	4.2	57.4	1.0
	CD	A:LYS220	4.4	58.3	1.0
	N	A:GLY200	4.4	63.8	1.0
	C	A:PHE202	4.5	68.5	1.0
	CA	A:GLY200	4.5	65.8	1.0
	CA	A:GLU204	4.5	62.5	1.0
	NZ	A:LYS220	4.6	60.6	1.0
	CG	A:LEU222	4.7	63.1	1.0
	C	A:GLU204	4.8	59.5	1.0
	N	A:PHE202	4.8	73.1	1.0
	C	A:GLY200	4.9	70.3	1.0
	O	A:GLU204	4.9	58.9	1.0
	CG2	A:VAL205	4.9	53.5	1.0
	CA	A:PHE202	5.0	72.3	1.0

Reference:

D.M.Thal, K.T.Homan, J.Chen, E.K.Wu, P.M.Hinkle, Z.M.Huang, J.K.Chuprun, J.Song, E.Gao, J.Y.Cheung, L.A.Sklar, W.J.Koch, J.J.Tesmer. Paroxetine Is A Direct Inhibitor of G Protein-Coupled Receptor Kinase 2 and Increases Myocardial Contractility. Acs Chem.Biol. V. 7 1830 2012.
ISSN: ISSN 1554-8929
PubMed: 22882301
DOI: 10.1021/CB3003013

Page generated: Wed Jul 31 23:13:33 2024

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