Bromine in PDB 7ayf: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110

Enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110, PDB code: 7ayf was solved by M.Wolter, L.V.Dijck, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	33.16 / 1.75
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	82.312, 112.002, 62.673, 90, 90, 90
*R / R_free (%)*	17.4 / 21.7

Other elements in 7ayf:

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110 (pdb code 7ayf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110, PDB code: 7ayf:

Bromine binding site 1 out of 1 in 7ayf

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Bromine Binding Sites List in 7ayf

Bromine binding site 1 out of 1 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 110 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br301 b:56.4 occ:1.00	BR1	A:S9E301	0.0	56.4	1.0
	C02	A:S9E301	1.9	46.6	1.0
	N06	A:S9E301	2.9	39.9	1.0
	N03	A:S9E301	3.0	39.7	1.0
	C07	A:S9E301	3.3	31.6	1.0
	O	A:HOH674	3.4	41.7	1.0
	C12	A:S9E301	3.6	22.3	1.0
	OD	A:CSO38	4.0	12.7	0.5
	C05	A:S9E301	4.0	27.3	1.0
	C04	A:S9E301	4.1	39.9	1.0
	N08	A:S9E301	4.1	24.1	1.0
	OD1	A:ASN42	4.2	14.3	0.6
	C11	A:S9E301	4.6	15.2	1.0
	CB	A:PRO167	4.6	8.7	1.0
	CB	A:ILE168	4.6	12.4	1.0
	N	A:ILE168	4.7	6.8	1.0
	O	A:HOH512	4.7	41.9	1.0
	ND2	A:ASN42	4.8	19.5	0.6
	CE2	A:PHE119	4.9	11.2	1.0
	CA	A:ILE168	5.0	7.1	1.0
	CG	A:ASN42	5.0	7.9	0.6

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: Thu Jul 11 03:31:28 2024

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