Fluorine in PDB 5ukm: Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS)

Enzymatic activity of Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS)

All present enzymatic activity of Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS):
2.7.11.15;

Protein crystallography data

The structure of Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS), PDB code: 5ukm was solved by O.Cruz-Rodriguez, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	30.00 / 3.03
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	189.012, 74.150, 123.175, 90.00, 115.46, 90.00
*R / R_free (%)*	19.7 / 25.2

Other elements in 5ukm:

The structure of Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS) (pdb code 5ukm). 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 Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS), PDB code: 5ukm:

Fluorine binding site 1 out of 1 in 5ukm

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Fluorine Binding Sites List in 5ukm

Fluorine binding site 1 out of 1 in the Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS)

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bovine GRK2 in Complex with Human Gbetagamma Subunits and CCG258208 (14AS) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F701 b:0.3 occ:1.00	F	A:T0E701	0.0	0.3	1.0
	C	A:T0E701	1.4	0.5	1.0
	C1	A:T0E701	2.4	0.5	1.0
	C5	A:T0E701	2.4	0.3	1.0
	C6	A:T0E701	2.9	0.3	1.0
	O	A:T0E701	2.9	0.1	1.0
	C	A:GLY203	2.9	0.6	1.0
	N	A:GLY203	3.0	0.5	1.0
	CA	A:GLY203	3.1	0.9	1.0
	O	A:GLY203	3.2	0.8	1.0
	N	A:GLU204	3.5	0.7	1.0
	CD2	A:LEU222	3.6	0.2	1.0
	C2	A:T0E701	3.7	0.3	1.0
	C4	A:T0E701	3.7	0.1	1.0
	CE	A:LYS220	3.9	0.3	1.0
	N	A:T0E701	4.0	0.6	1.0
	C	A:PHE202	4.1	0.1	1.0
	C3	A:T0E701	4.2	0.3	1.0
	N	A:GLY200	4.2	0.6	1.0
	CA	A:GLU204	4.3	0.3	1.0
	CA	A:GLY200	4.5	0.0	1.0
	NZ	A:LYS220	4.5	0.7	1.0
	N	A:PHE202	4.6	0.2	1.0
	CG	A:LYS220	4.7	0.6	1.0
	CG	A:LEU222	4.7	0.6	1.0
	CA	A:PHE202	4.8	0.1	1.0
	C	A:GLY200	4.8	0.1	1.0
	CD	A:LYS220	4.8	0.6	1.0
	C	A:GLU204	4.9	0.5	1.0
	CB	A:PHE202	5.0	0.7	1.0

Reference:

H.V.Waldschmidt, K.T.Homan, M.C.Cato, O.Cruz-Rodriguez, A.Cannavo, M.W.Wilson, J.Song, J.Y.Cheung, W.J.Koch, J.J.Tesmer, S.D.Larsen. Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine. J. Med. Chem. V. 60 3052 2017.
ISSN: ISSN 1520-4804
PubMed: 28323425
DOI: 10.1021/ACS.JMEDCHEM.7B00112

Page generated: Thu Aug 1 15:40:59 2024

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