Atomistry » Fluorine » PDB 5sb0-5sjo » 5sb4
Atomistry »
  Fluorine »
    PDB 5sb0-5sjo »
      5sb4 »

Fluorine in PDB 5sb4: Tubulin-Todalam-8-Complex

Protein crystallography data

The structure of Tubulin-Todalam-8-Complex, PDB code: 5sb4 was solved by T.Muehlethaler, L.Milanos, J.A.Ortega, T.B.Blum, D.Gioia, A.E.Prota, A.Cavalli, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.62 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 104.575, 157.329, 180.728, 90, 90, 90
R / Rfree (%) 19.8 / 23

Other elements in 5sb4:

The structure of Tubulin-Todalam-8-Complex also contains other interesting chemical elements:

Calcium (Ca) 4 atoms
Magnesium (Mg) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Tubulin-Todalam-8-Complex (pdb code 5sb4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Tubulin-Todalam-8-Complex, PDB code: 5sb4:

Fluorine binding site 1 out of 1 in 5sb4

Go back to Fluorine Binding Sites List in 5sb4
Fluorine binding site 1 out of 1 in the Tubulin-Todalam-8-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Todalam-8-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F504

b:55.3
occ:1.00
F1 C:4B6504 0.0 55.3 1.0
C17 C:4B6504 1.3 48.1 1.0
C16 C:4B6504 2.4 44.0 1.0
C12 C:4B6504 2.4 50.0 1.0
N3 C:4B6504 2.8 50.9 1.0
CB C:SER165 3.1 46.7 1.0
C C:SER165 3.4 47.2 1.0
CD2 C:LEU167 3.5 44.3 1.0
N C:LYS166 3.6 43.9 1.0
C15 C:4B6504 3.6 46.2 1.0
C13 C:4B6504 3.6 52.5 1.0
O C:SER165 3.6 43.4 1.0
N C:LEU167 3.6 37.8 1.0
CG C:LEU167 3.7 41.4 1.0
C11 C:4B6504 3.7 53.4 1.0
C C:LYS166 3.8 37.8 1.0
CB C:LEU167 3.8 37.9 1.0
CA C:SER165 3.9 47.9 1.0
CA C:LYS166 4.0 41.7 1.0
C14 C:4B6504 4.1 53.2 1.0
O C:PHE135 4.2 38.0 1.0
OG C:SER165 4.2 56.4 1.0
CA C:LEU167 4.3 36.7 1.0
O C:LYS166 4.3 38.8 1.0
OE1 C:GLN256 4.4 52.2 1.0
S1 C:4B6504 4.6 53.6 1.0
NE2 C:GLN256 4.7 51.1 1.0
N2 C:4B6504 4.7 53.3 1.0
N C:PHE135 4.9 42.6 1.0

Reference:

T.Muhlethaler, L.Milanos, J.A.Ortega, T.B.Blum, D.Gioia, B.Roy, A.E.Prota, A.Cavalli, M.O.Steinmetz. Rational Design of A Novel Tubulin Inhibitor with A Unique Mechanism of Action. Angew.Chem.Int.Ed.Engl. V. 61 04052 2022.
ISSN: ESSN 1521-3773
PubMed: 35404502
DOI: 10.1002/ANIE.202204052
Page generated: Thu Aug 1 14:12:33 2024

Last articles

Cl in 3C0U
Cl in 3BZA
Cl in 3C0A
Cl in 3BYQ
Cl in 3C06
Cl in 3BXF
Cl in 3BZ5
Cl in 3BXP
Cl in 3BXM
Cl in 3BWZ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy