Bromine in PDB 7nig: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1008

Enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1008

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1008:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1008, PDB code: 7nig 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)*	41.68 / 1.90
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	82.089, 111.584, 62.692, 90, 90, 90
*R / R_free (%)*	16.5 / 20.5

Other elements in 7nig:

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1008 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1008 (pdb code 7nig). 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 LVD1008, PDB code: 7nig:

Bromine binding site 1 out of 1 in 7nig

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Bromine Binding Sites List in 7nig

Bromine binding site 1 out of 1 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1008

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 LVD1008 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br301 b:22.9 occ:1.00	BR1	A:UFH301	0.0	22.9	1.0
	C13	A:UFH301	1.9	16.2	1.0
	C03	A:UFH301	2.9	16.1	1.0
	C12	A:UFH301	2.9	20.4	1.0
	C02	A:UFH301	3.0	12.3	1.0
	OG	A:SER45	3.2	11.2	1.0
	O	P:HOH113	3.4	40.5	1.0
	O	A:HOH413	3.4	21.0	1.0
	CE2	A:PHE119	3.6	13.5	1.0
	CZ3	P:TRP73	3.7	29.2	1.0
	CZ	A:PHE119	3.7	10.1	1.0
	CB	A:SER45	3.9	10.4	1.0
	O	A:HOH537	4.0	9.2	1.0
	CE3	P:TRP73	4.0	23.0	1.0
	CH2	P:TRP73	4.1	35.3	1.0
	C04	A:UFH301	4.2	13.9	1.0
	C06	A:UFH301	4.2	24.7	1.0
	NZ	A:LYS122	4.4	9.6	1.0
	OD1	A:ASN42	4.5	26.4	1.0
	CD2	A:PHE119	4.6	9.0	1.0
	O	A:HOH496	4.7	17.5	1.0
	C05	A:UFH301	4.7	11.6	1.0
	CD2	P:TRP73	4.7	28.3	1.0
	CE	A:LYS49	4.7	31.3	1.0
	CZ2	P:TRP73	4.8	26.9	1.0
	CE1	A:PHE119	4.8	6.7	1.0
	CD1	A:ILE168	4.9	17.7	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: Mon Jul 7 11:30:10 2025

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