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Chlorine in PDB 5s5m: Tubulin-Z45527714-Complex

Protein crystallography data

The structure of Tubulin-Z45527714-Complex, PDB code: 5s5m 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) 55.92 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 105.66, 159.8, 179.1, 90, 90, 90
R / Rfree (%) 21.5 / 26.9

Other elements in 5s5m:

The structure of Tubulin-Z45527714-Complex also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tubulin-Z45527714-Complex (pdb code 5s5m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tubulin-Z45527714-Complex, PDB code: 5s5m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5s5m

Go back to Chlorine Binding Sites List in 5s5m
Chlorine binding site 1 out of 2 in the Tubulin-Z45527714-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-Z45527714-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:93.6
occ:0.75
CL1 B:X0S505 0.0 93.6 0.8
C6 B:X0S505 1.7 80.7 0.8
C1 B:X0S505 2.7 78.1 0.8
C5 B:X0S505 2.7 83.4 0.8
H1 B:X0S505 2.8 93.9 0.8
O1 B:X0S505 2.9 92.6 0.8
S1 B:X0S505 3.2 91.5 0.8
O B:PRO222 3.6 108.0 1.0
O2 B:X0S505 3.7 92.6 0.8
C B:THR223 3.8 87.2 1.0
CA B:THR223 3.8 89.1 1.0
N B:TYR224 3.9 86.7 1.0
C2 B:X0S505 4.0 75.9 0.8
C4 B:X0S505 4.0 79.5 0.8
C B:PRO222 4.1 110.6 1.0
N B:THR223 4.2 96.7 1.0
CG1 B:VAL177 4.3 75.8 1.0
O B:THR223 4.3 89.0 1.0
C3 B:X0S505 4.5 77.9 0.8
CD1 B:TYR224 4.5 72.2 1.0
CE1 B:TYR224 4.6 69.1 1.0
CA B:TYR224 4.7 79.5 1.0
H2 B:X0S505 4.7 91.3 0.8
CG B:TYR224 4.7 77.5 1.0
H4 B:X0S505 4.7 95.5 0.8
N1 B:X0S505 4.8 91.2 0.8
CD2 B:LEU227 4.8 70.2 1.0
CD1 B:LEU227 4.9 82.4 1.0
CZ B:TYR224 4.9 70.6 1.0
CD2 B:TYR224 5.0 72.3 1.0

Chlorine binding site 2 out of 2 in 5s5m

Go back to Chlorine Binding Sites List in 5s5m
Chlorine binding site 2 out of 2 in the Tubulin-Z45527714-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tubulin-Z45527714-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:95.9
occ:0.74
CL1 C:X0S504 0.0 95.9 0.7
C6 C:X0S504 1.7 80.9 0.7
C1 C:X0S504 2.7 73.1 0.7
C5 C:X0S504 2.7 79.9 0.7
H1 C:X0S504 2.8 87.9 0.7
O1 C:X0S504 2.8 84.1 0.7
S1 C:X0S504 3.3 91.9 0.7
CD1 C:LEU242 3.4 70.9 1.0
OE1 C:GLN133 3.8 93.7 1.0
CD2 C:LEU242 3.8 84.7 1.0
OG1 C:THR253 3.8 83.7 1.0
CD C:GLN133 3.9 100.6 1.0
C2 C:X0S504 4.0 68.8 0.7
C4 C:X0S504 4.0 78.7 0.7
O2 C:X0S504 4.0 87.1 0.7
CB C:LEU252 4.1 72.0 1.0
CG C:LEU242 4.2 74.5 1.0
NE2 C:GLN133 4.2 104.1 1.0
CD2 C:LEU252 4.3 73.4 1.0
CG C:LEU252 4.4 69.6 1.0
N C:THR253 4.5 83.0 1.0
C3 C:X0S504 4.5 70.2 0.7
CG C:GLN133 4.5 94.2 1.0
N1 C:X0S504 4.6 91.7 0.7
H2 C:X0S504 4.7 82.7 0.7
H4 C:X0S504 4.7 94.5 0.7
SG C:CYS4 4.7 73.4 0.8
C C:LEU252 4.8 83.8 1.0
CB C:THR253 4.9 85.1 1.0
CA C:THR253 4.9 81.6 1.0
CA C:LEU252 5.0 80.4 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 12:14:33 2021

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