Calcium 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:

Bromine

(Br)

1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 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 TCF521- 110, PDB code: 7ayf:

Calcium binding site 1 out of 1 in 7ayf

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Calcium Binding Sites List in 7ayf

Calcium 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 Calcium with other atoms in the Ca 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:Ca302 b:15.5 occ:0.88	O	A:GLU110	2.3	11.2	1.0
	O	A:HOH527	2.3	25.4	1.0
	OE1	A:GLU35	2.4	13.7	1.0
	O	A:HOH637	2.4	21.0	1.0
	OE2	A:GLU35	2.7	21.0	1.0
	CD	A:GLU35	2.9	23.2	1.0
	C	A:GLU110	3.5	10.5	1.0
	N	A:GLY112	4.0	12.7	1.0
	O	A:HOH648	4.1	33.9	1.0
	CG	A:GLU35	4.3	10.5	1.0
	CA	A:GLU110	4.4	5.8	1.0
	N	A:ALA111	4.4	9.0	1.0
	CA	A:ALA111	4.5	7.9	1.0
	CB	A:GLU110	4.6	10.1	1.0
	O	A:HOH496	4.6	20.7	1.0
	OE1	A:GLU110	4.6	25.9	1.0
	O	A:HOH635	4.6	23.8	1.0
	C	A:ALA111	4.7	8.5	1.0
	CA	A:GLY112	4.7	14.6	1.0
	O	A:HOH494	4.8	26.3	1.0
	O	A:HOH587	5.0	18.3	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: Thu Jul 18 23:09:27 2024

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