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Fluorine in PDB 5s56: Tubulin-Z2856434783-Complex

Protein crystallography data

The structure of Tubulin-Z2856434783-Complex, PDB code: 5s56 was solved by T.Muehlethaler, D.Gioia, A.E.Prota, M.E.Sharpe, A.Cavalli, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.66 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 104.56, 158.3, 180.09, 90, 90, 90
R / Rfree (%) 20.4 / 23.9

Other elements in 5s56:

The structure of Tubulin-Z2856434783-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-Z2856434783-Complex (pdb code 5s56). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Tubulin-Z2856434783-Complex, PDB code: 5s56:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5s56

Go back to Fluorine Binding Sites List in 5s56
Fluorine binding site 1 out of 2 in the Tubulin-Z2856434783-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z2856434783-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F504

b:83.4
occ:0.88
F1 B:O3G504 0.0 83.4 0.9
C1 B:O3G504 1.4 74.2 0.9
C14 B:O3G504 2.3 69.4 0.9
C2 B:O3G504 2.3 70.3 0.9
H12 B:O3G504 2.5 83.2 0.9
H13 B:O3G504 2.5 84.4 0.9
CG B:ARG253 2.9 81.4 1.0
CB B:ARG253 3.3 72.6 1.0
CA B:ARG253 3.4 75.6 1.0
NE B:ARG253 3.6 78.3 1.0
C13 B:O3G504 3.6 69.3 0.9
C3 B:O3G504 3.6 66.9 0.9
CZ B:ARG253 3.6 82.3 1.0
CG1 B:ILE165 3.6 74.2 1.0
CD B:ARG253 3.8 80.0 1.0
NH1 B:ARG253 3.8 82.5 1.0
C4 B:O3G504 4.1 64.8 0.9
NH2 B:ARG253 4.2 71.6 1.0
O B:ARG253 4.2 67.9 1.0
C B:ARG253 4.3 72.1 1.0
H9 B:O3G504 4.4 83.2 0.9
H14 B:O3G504 4.4 80.3 0.9
N B:ARG253 4.4 75.2 1.0
CD1 B:ILE165 4.5 68.2 1.0
CZ3 A:TRP407 4.6 69.2 1.0
CB B:ILE165 4.6 59.4 1.0
CB B:ALA256 4.7 62.3 1.0
CH2 A:TRP407 4.8 63.3 1.0
O B:LEU252 4.9 76.2 1.0

Fluorine binding site 2 out of 2 in 5s56

Go back to Fluorine Binding Sites List in 5s56
Fluorine binding site 2 out of 2 in the Tubulin-Z2856434783-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Tubulin-Z2856434783-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F505

b:71.9
occ:0.84
F1 B:O3G505 0.0 71.9 0.8
C1 B:O3G505 1.4 62.8 0.8
C14 B:O3G505 2.3 62.2 0.8
C2 B:O3G505 2.3 58.5 0.8
H13 B:O3G505 2.5 70.2 0.8
H12 B:O3G505 2.5 74.6 0.8
O B:PRO222 3.0 71.6 1.0
C B:PRO222 3.3 65.9 1.0
CD1 B:LEU227 3.5 62.7 1.0
C13 B:O3G505 3.6 62.2 0.8
C3 B:O3G505 3.6 58.1 0.8
N B:THR223 3.6 65.3 1.0
C B:THR223 3.7 64.7 1.0
CA B:THR223 3.7 60.4 1.0
CB B:PRO222 3.8 68.0 1.0
O B:THR223 3.9 64.2 1.0
CD2 B:LEU227 3.9 57.0 1.0
CD2 B:TYR210 3.9 63.4 1.0
C4 B:O3G505 4.1 62.5 0.8
CA B:PRO222 4.1 71.6 1.0
N B:TYR224 4.1 59.6 1.0
CG1 B:VAL177 4.3 57.6 1.0
CG B:LEU227 4.3 64.8 1.0
H9 B:O3G505 4.4 74.7 0.8
H14 B:O3G505 4.4 69.7 0.8
CE2 B:TYR210 4.4 66.8 1.0
CG2 B:VAL177 4.8 68.6 1.0
CG B:PRO222 4.8 72.7 1.0
CA B:TYR224 4.9 62.7 1.0
N B:PRO222 5.0 69.0 1.0

Reference:

T.Muhlethaler, D.Gioia, A.E.Prota, M.E.Sharpe, A.Cavalli, M.O.Steinmetz. Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl. V. 60 13331 2021.
ISSN: ESSN 1521-3773
PubMed: 33951246
DOI: 10.1002/ANIE.202100273
Page generated: Sat Jul 10 13:45:00 2021

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