Calcium in PDB 7bjb: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044

Protein crystallography data

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044, PDB code: 7bjb was solved by M.Wolter, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.44 / 1.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.535, 112.245, 62.533, 90, 90, 90
R / Rfree (%) 17.5 / 21.1

Other elements in 7bjb:

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044 (pdb code 7bjb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044, PDB code: 7bjb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 7bjb

Go back to Calcium Binding Sites List in 7bjb
Calcium binding site 1 out of 2 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044


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 Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:15.4
occ:0.86
OE1 A:GLU35 2.3 13.4 1.0
O A:GLU110 2.3 14.5 1.0
O A:HOH433 2.4 27.7 1.0
O A:HOH591 2.4 19.4 1.0
OE2 A:GLU35 2.8 28.4 1.0
CD A:GLU35 2.9 20.3 1.0
C A:GLU110 3.5 20.4 1.0
N A:GLY112 3.9 17.7 1.0
CG A:GLU35 4.3 12.0 1.0
CA A:GLU110 4.4 11.9 1.0
N A:ALA111 4.5 12.4 1.0
OE1 A:GLU110 4.5 29.3 1.0
CA A:ALA111 4.5 12.1 1.0
CB A:GLU110 4.6 13.1 1.0
CA A:GLY112 4.6 22.8 1.0
O A:HOH522 4.6 23.9 1.0
C A:ALA111 4.6 14.3 1.0
O A:HOH629 4.8 38.5 1.0
O A:HOH501 5.0 21.2 1.0
O A:HOH610 5.0 34.4 1.0

Calcium binding site 2 out of 2 in 7bjb

Go back to Calcium Binding Sites List in 7bjb
Calcium binding site 2 out of 2 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044


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 with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-044 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca305

b:15.9
occ:0.46
OE1 A:GLU2 2.4 16.0 1.0
O A:HOH603 2.5 33.7 1.0
O A:HOH475 2.5 12.7 1.0
O A:HOH649 2.8 37.5 1.0
CD A:GLU2 3.4 14.2 1.0
OE2 A:GLU2 3.8 13.6 1.0
O A:HOH581 4.3 10.5 1.0
O A:HOH686 4.5 11.7 1.0
CG A:GLU2 4.7 10.3 1.0
CA A:GLU2 4.9 10.0 1.0
O A:HOH502 5.0 20.6 1.0

Reference:

M.Wolter, D.Valenti, P.J.Cossar, S.Hristeva, L.M.Levy, T.Genski, T.Hoffmann, L.Brunsveld, D.Tzalis, C.Ottmann. An Exploration of Chemical Properties Required For Cooperative Stabilization of the 14-3-3 Interaction with Nf-Kappa B-Utilizing A Reversible Covalent Tethering Approach. J.Med.Chem. V. 64 8423 2021.
ISSN: ISSN 0022-2623
PubMed: 34076416
DOI: 10.1021/ACS.JMEDCHEM.1C00401
Page generated: Fri Sep 24 12:12:34 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy