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Calcium in PDB 7axn: 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026

Enzymatic activity of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026

All present enzymatic activity of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026, PDB code: 7axn 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) 55.97 / 1.40
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.027, 111.94, 62.47, 90, 90, 90
R / Rfree (%) 16.6 / 18.2

Other elements in 7axn:

The structure of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026 (pdb code 7axn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026, PDB code: 7axn:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 7axn

Go back to Calcium Binding Sites List in 7axn
Calcium binding site 1 out of 4 in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026


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 in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:19.2
occ:0.86
 O A:GLU110 2.3 19.6 1.0
O A:HOH536 2.3 28.4 1.0
O A:HOH627 2.3 25.3 1.0
OE1 A:GLU35 2.4 20.5 1.0
OE2 A:GLU35 2.7 27.1 1.0
CD A:GLU35 2.9 27.5 1.0
C A:GLU110 3.5 17.4 1.0
N A:GLY112 4.1 20.6 1.0
O A:HOH648 4.2 31.3 1.0
CA A:GLU110 4.4 16.7 1.0
CG A:GLU35 4.4 19.2 1.0
N A:ALA111 4.4 16.4 1.0
CB A:GLU110 4.5 16.6 1.0
O A:HOH482 4.5 27.7 1.0
CA A:ALA111 4.5 17.0 1.0
O A:HOH637 4.5 31.3 1.0
OE1 A:GLU110 4.6 26.4 1.0
O A:HOH477 4.7 30.4 1.0
C A:ALA111 4.7 15.9 1.0
CA A:GLY112 4.8 20.0 1.0

Calcium binding site 2 out of 4 in 7axn

Go back to Calcium Binding Sites List in 7axn
Calcium binding site 2 out of 4 in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:18.7
occ:0.43
 O A:HOH594 2.5 35.6 1.0
O A:HOH428 2.6 20.5 1.0
OE1 A:GLU2 2.6 19.5 1.0
CD A:GLU2 3.6 20.6 1.0
OE2 A:GLU2 4.0 19.5 1.0
O A:HOH491 4.4 20.2 1.0
O A:HOH587 4.5 20.6 1.0
CG A:GLU2 4.8 18.5 1.0
CA A:GLU2 4.9 13.4 1.0
N A:ARG3 5.0 13.4 1.0

Calcium binding site 3 out of 4 in 7axn

Go back to Calcium Binding Sites List in 7axn
Calcium binding site 3 out of 4 in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:29.0
occ:0.58
 O A:GLU161 2.2 22.5 1.0
O A:HOH570 2.4 42.0 1.0
O A:HOH616 2.5 33.8 1.0
C A:GLU161 3.4 19.0 1.0
CA A:GLU161 4.3 16.6 1.0
CA A:MET162 4.3 17.9 1.0
N A:MET162 4.3 16.6 1.0
CB A:GLU161 4.7 17.9 1.0
OE1 A:GLU161 4.8 33.2 1.0
CD A:PRO163 4.8 20.8 1.0

Calcium binding site 4 out of 4 in 7axn

Go back to Calcium Binding Sites List in 7axn
Calcium binding site 4 out of 4 in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 and Covalently Bound TCF521-026 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca305

b:21.8
occ:0.44
 O A:HOH447 2.2 32.2 1.0
OE2 A:GLU89 2.4 21.7 1.0
OE1 A:GLU86 2.4 23.5 0.5
OE2 A:GLU86 2.4 24.9 0.5
CD A:GLU86 2.8 17.0 0.5
CD A:GLU89 3.5 16.3 1.0
O A:HOH504 4.1 34.7 1.0
CG A:GLU89 4.1 16.1 1.0
CG A:GLU86 4.3 19.9 0.5
OE1 A:GLU89 4.4 17.5 1.0
NH1 A:ARG85 4.5 22.2 1.0
O A:HOH546 4.5 32.5 1.0
OE1 A:GLN93 4.5 19.4 1.0
NE2 A:GLN93 4.7 18.3 1.0
CG A:GLU86 4.8 19.1 0.5
OG1 A:THR90 4.8 21.3 1.0
CB A:GLU89 4.8 16.8 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 23:08:40 2024

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