Calcium in PDB 7nj6: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005

Enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005, PDB code: 7nj6 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)*	33.16 / 1.59
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	82.334, 111.915, 62.594, 90, 90, 90
*R / R_free (%)*	18.2 / 20.7

Other elements in 7nj6:

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005 (pdb code 7nj6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005, PDB code: 7nj6:

Calcium binding site 1 out of 1 in 7nj6

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Calcium Binding Sites List in 7nj6

Calcium binding site 1 out of 1 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1005 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca302 b:14.3 occ:0.81	O	A:GLU110	2.3	13.1	1.0
	O	A:HOH626	2.4	18.7	1.0
	OE2	A:GLU35	2.4	15.1	1.0
	O	A:HOH535	2.4	20.6	1.0
	OE1	A:GLU35	2.8	22.1	1.0
	CD	A:GLU35	2.9	19.6	1.0
	C	A:GLU110	3.6	12.1	1.0
	N	A:GLY112	4.0	14.1	1.0
	O	A:HOH648	4.1	35.7	1.0
	CG	A:GLU35	4.4	11.9	1.0
	CA	A:GLU110	4.4	9.4	1.0
	N	A:ALA111	4.5	8.7	1.0
	O	A:HOH554	4.5	23.1	1.0
	CA	A:ALA111	4.5	9.2	1.0
	O	A:HOH638	4.5	23.9	1.0
	CB	A:GLU110	4.6	11.1	1.0
	OE1	A:GLU110	4.7	26.4	1.0
	C	A:ALA111	4.7	10.1	1.0
	CA	A:GLY112	4.7	14.7	1.0
	O	A:HOH460	4.7	25.9	1.0
	O	A:HOH545	5.0	20.3	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 Jul 19 02:17:10 2024

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