Atomistry » Fluorine » PDB 8a19-8azl » 8alt
Atomistry »
  Fluorine »
    PDB 8a19-8azl »
      8alt »

Fluorine in PDB 8alt: Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311)

Protein crystallography data

The structure of Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311), PDB code: 8alt was solved by E.J.Visser, E.M.V.Vandenboorn, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.42 / 1.40
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.98, 112.142, 62.347, 90, 90, 90
R / Rfree (%) 13.3 / 15.8

Other elements in 8alt:

The structure of Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311) also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311) (pdb code 8alt). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311), PDB code: 8alt:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 8alt

Go back to Fluorine Binding Sites List in 8alt
Fluorine binding site 1 out of 2 in the Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:22.3
occ:1.00
F1 A:MU9304 0.0 22.3 1.0
C17 A:MU9304 1.4 20.4 1.0
F2 A:MU9304 2.2 23.1 1.0
C18 A:MU9304 2.4 21.2 1.0
C16 A:MU9304 2.4 19.0 1.0
C15 A:MU9304 3.0 18.9 1.0
C19 A:MU9304 3.0 19.2 1.0
O A:HOH715 3.1 42.8 1.0
C8 A:MU9304 3.6 18.7 1.0
CD2 A:LEU218 3.7 18.6 1.0
CD1 A:LEU218 3.8 20.2 1.0
CG A:LEU218 4.4 17.2 1.0
O A:HOH408 4.5 23.6 1.0
O B:HOH612 4.6 35.7 1.0
N3 A:MU9304 4.6 17.3 1.0
C7 A:MU9304 4.6 18.8 1.0
O2 A:MU9304 4.7 20.3 1.0
O A:HOH576 4.8 31.0 1.0

Fluorine binding site 2 out of 2 in 8alt

Go back to Fluorine Binding Sites List in 8alt
Fluorine binding site 2 out of 2 in the Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Small Molecular Stabilizer For Eralpha and 14-3-3 (1075311) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:23.1
occ:1.00
F2 A:MU9304 0.0 23.1 1.0
C17 A:MU9304 1.4 20.4 1.0
F1 A:MU9304 2.2 22.3 1.0
C16 A:MU9304 2.3 19.0 1.0
C18 A:MU9304 2.3 21.2 1.0
O A:HOH715 3.2 42.8 1.0
O B:HOH610 3.2 30.0 1.0
O B:HOH612 3.4 35.7 1.0
C15 A:MU9304 3.7 18.9 1.0
C19 A:MU9304 3.7 19.2 1.0
O B:HOH606 3.7 20.2 1.0
C8 A:MU9304 4.1 18.7 1.0
O A:HOH709 4.4 33.2 1.0
N3 A:MU9304 4.4 17.3 1.0
O B:HOH611 4.8 29.3 1.0

Reference:

M.Konstantinidou, E.J.Visser, E.Vandenboorn, S.Chen, P.Jaishankar, M.Overmans, S.Dutta, R.J.Neitz, A.R.Renslo, C.Ottmann, L.Brunsveld, M.R.Arkin. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 Sigma /Er Alpha Protein-Protein Interaction From Nonselective Fragments. J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
PubMed: 37676236
DOI: 10.1021/JACS.3C05161
Page generated: Fri Aug 2 16:31:11 2024

Last articles

Na in 4DIH
Na in 4DNL
Na in 4DK4
Na in 4DL8
Na in 4DJT
Na in 4DJA
Na in 4DFG
Na in 4DII
Na in 4DJ4
Na in 4DIP
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy