Fluorine in PDB 7bdy: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B

Enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B, PDB code: 7bdy was solved by M.Wolter, L.V.Dijck, P.J.Cossar, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	41.15 / 1.80
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	82.305, 111.924, 62.537, 90, 90, 90
*R / R_free (%)*	16.5 / 19.9

Other elements in 7bdy:

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Chlorine	(Cl)	1 atom
Magnesium	(Mg)	1 atom
Bromine	(Br)	2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B (pdb code 7bdy). 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 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B, PDB code: 7bdy:

Fluorine binding site 1 out of 1 in 7bdy

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Fluorine Binding Sites List in 7bdy

Fluorine binding site 1 out of 1 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068B within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F301 b:93.7 occ:1.00	F14	A:TJK301	0.0	93.7	1.0
	C13	A:TJK301	1.4	94.2	1.0
	C15	A:TJK301	2.4	94.4	1.0
	C12	A:TJK301	2.4	87.4	1.0
	N20	A:TJK301	2.8	56.5	1.0
	C11	A:TJK301	2.9	68.6	1.0
	O	P:HOH106	3.1	48.5	1.0
	O	P:HOH110	3.2	39.2	1.0
	C16	A:TJK301	3.6	104.6	1.0
	C19	A:TJK301	3.7	96.6	1.0
	C21	A:TJK301	3.9	59.4	1.0
	N10	A:TJK301	4.1	54.9	1.0
	C17	A:TJK301	4.1	116.8	1.0
	C22	A:TJK301	4.6	57.3	1.0
	OD1	A:ASN42	4.6	46.9	1.0
	O	A:HOH491	4.7	25.6	1.0

Reference:

P.J.Cossar, M.Wolter, L.Van Dijck, D.Valenti, L.M.Levy, C.Ottmann, L.Brunsveld. Reversible Covalent Imine-Tethering For Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 34047554
DOI: 10.1021/JACS.1C03035

Page generated: Fri Aug 2 05:57:54 2024

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