Atomistry » Magnesium » PDB 8btg-8c05 » 8bz0
Atomistry »
  Magnesium »
    PDB 8btg-8c05 »
      8bz0 »

Magnesium in PDB 8bz0: Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275)

Protein crystallography data

The structure of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275), PDB code: 8bz0 was solved by E.J.Visser, E.Sijbesma, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.38 / 1.20
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.693, 111.927, 62.519, 90, 90, 90
R / Rfree (%) 18.5 / 20.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275) (pdb code 8bz0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275), PDB code: 8bz0:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8bz0

Go back to Magnesium Binding Sites List in 8bz0
Magnesium binding site 1 out of 3 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:33.4
occ:1.00
O A:HOH424 2.7 15.1 1.0
O A:HOH672 2.8 35.2 1.0
O A:HOH593 3.2 28.0 1.0
O A:HOH419 3.7 32.5 1.0
HZ2 A:LYS159 4.1 39.2 1.0
O A:HOH530 4.2 17.2 1.0
OE2 A:GLU189 4.5 13.8 1.0
HZ1 A:LYS159 4.6 39.2 1.0
HE22 A:GLN152 4.8 22.7 1.0
NZ A:LYS159 4.8 32.7 1.0
O A:HOH576 5.0 26.2 1.0

Magnesium binding site 2 out of 3 in 8bz0

Go back to Magnesium Binding Sites List in 8bz0
Magnesium binding site 2 out of 3 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:14.0
occ:0.72
OE1 A:GLU2 2.6 16.5 1.0
O A:HOH413 2.7 16.4 1.0
CD A:GLU2 3.6 15.7 1.0
OE2 A:GLU2 4.0 15.8 1.0
HA A:GLU2 4.1 14.1 1.0
H A:ARG3 4.2 12.7 1.0
O A:HOH580 4.5 15.9 1.0
O A:HOH658 4.6 15.8 1.0
CG A:GLU2 4.9 12.7 1.0
HB3 A:GLU2 4.9 14.6 1.0
CA A:GLU2 4.9 11.7 1.0
N A:ARG3 5.0 10.6 1.0

Magnesium binding site 3 out of 3 in 8bz0

Go back to Magnesium Binding Sites List in 8bz0
Magnesium binding site 3 out of 3 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:19.9
occ:1.00
OE2 A:GLU86 2.4 17.4 0.4
O A:HOH592 2.4 28.0 1.0
OE2 A:GLU89 2.4 18.1 1.0
OE1 A:GLU86 2.5 17.9 0.4
CD A:GLU86 2.8 14.9 0.4
CD A:GLU89 3.5 12.3 1.0
HG2 A:GLU89 3.8 15.5 1.0
HH12 A:ARG85 3.9 20.5 1.0
HG2 A:GLU86 4.0 18.8 0.6
O A:HOH535 4.0 32.8 1.0
HE22 A:GLN93 4.1 18.5 1.0
CG A:GLU89 4.2 12.9 1.0
CG A:GLU86 4.3 17.2 0.4
HB3 A:GLU89 4.3 15.7 1.0
HH11 A:ARG85 4.3 20.5 1.0
O A:HOH577 4.4 28.2 1.0
OE1 A:GLU89 4.4 13.5 1.0
NH1 A:ARG85 4.5 17.1 1.0
HA A:GLU86 4.5 15.2 0.6
OE1 A:GLN93 4.5 15.2 1.0
HA A:GLU86 4.5 15.2 0.4
HG1 A:THR90 4.6 22.0 1.0
O A:HOH537 4.6 28.8 1.0
HG2 A:GLU86 4.6 20.7 0.4
HB3 A:GLU86 4.7 16.6 0.6
HG3 A:GLU86 4.7 20.7 0.4
NE2 A:GLN93 4.7 15.4 1.0
CG A:GLU86 4.8 15.6 0.6
CB A:GLU89 4.8 13.1 1.0
OG1 A:THR90 4.9 18.3 1.0
HB3 A:GLU86 5.0 16.5 0.4

Reference:

E.J.Visser, P.Jaishankar, E.Sijbesma, M.A.M.Pennings, E.M.F.Vandenboorn, X.Guillory, R.J.Neitz, J.Morrow, S.Dutta, A.R.Renslo, L.Brunsveld, M.R.Arkin, C.Ottmann. From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions Via Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004
Page generated: Thu Oct 3 19:55:51 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy