Chlorine in PDB 5s4p: Tubulin-Z275165822-Complex

The structure of Tubulin-Z275165822-Complex, PDB code: 5s4p 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)	78.52 / 2.29
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.246, 157.049, 178.157, 90, 90, 90
R / Rfree (%)	20.8 / 24.4

The structure of Tubulin-Z275165822-Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Tubulin-Z275165822-Complex (pdb code 5s4p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Tubulin-Z275165822-Complex, PDB code: 5s4p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Tubulin-Z275165822-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-Z275165822-Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:65.2 occ:0.84 CL1 A:WNY505 0.0 65.2 0.8 C13 A:WNY505 1.7 65.3 0.8 C12 A:WNY505 2.7 66.9 0.8 C15 A:WNY505 2.7 61.8 0.8 H14 A:WNY505 2.8 80.3 0.8 H1 A:WNY505 2.8 74.2 0.8 O A:ARG121 3.0 60.3 1.0 CG A:LEU125 3.7 58.3 1.0 C A:ARG121 3.8 59.2 1.0 CB A:ARG121 3.9 58.0 1.0 C16 A:WNY505 4.0 68.3 0.8 CA A:ARG121 4.0 60.9 1.0 C11 A:WNY505 4.0 68.9 0.8 CD2 A:LEU125 4.0 58.3 1.0 CG A:GLN91 4.2 54.4 1.0 CB A:LYS124 4.3 59.4 1.0 CD1 A:LEU125 4.3 60.3 1.0 O A:GLU90 4.3 55.7 1.0 CD A:ARG121 4.4 58.3 1.0 C10 A:WNY505 4.5 71.7 0.8 C A:GLU90 4.5 58.2 1.0 CA A:GLN91 4.6 53.4 1.0 N A:LEU125 4.6 60.5 1.0 CG2 A:VAL66 4.6 51.0 1.0 CB A:GLU90 4.7 63.2 1.0 N A:GLN91 4.7 55.6 1.0 H15 A:WNY505 4.7 82.0 0.8 H13 A:WNY505 4.7 82.7 0.8 CG A:ARG121 4.8 57.1 1.0 N A:ILE122 4.9 54.9 1.0 CB A:LEU125 4.9 52.9 1.0 CB A:GLN91 5.0 53.3 1.0 CD A:LYS124 5.0 71.7 1.0

Chlorine binding site 2 out of 5 in the Tubulin-Z275165822-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tubulin-Z275165822-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:64.0 occ:0.82 CL1 B:WNY505 0.0 64.0 0.8 C13 B:WNY505 1.7 59.2 0.8 C12 B:WNY505 2.7 57.9 0.8 C15 B:WNY505 2.7 54.5 0.8 H14 B:WNY505 2.8 69.4 0.8 H1 B:WNY505 2.8 65.4 0.8 C B:THR353 3.3 56.6 1.0 O B:THR353 3.3 53.9 1.0 CG2 A:THR179 3.4 65.1 1.0 CB B:ALA354 3.5 62.1 1.0 N B:THR353 3.5 50.3 1.0 N B:ALA354 3.6 58.8 1.0 C B:LYS352 3.6 60.3 1.0 CB B:LYS352 3.7 54.3 1.0 CA B:THR353 3.8 58.2 1.0 O B:LYS352 3.8 56.0 1.0 C11 B:WNY505 4.0 59.9 0.8 C16 B:WNY505 4.0 60.2 0.8 CB A:THR179 4.0 67.8 1.0 CA B:ALA354 4.1 59.0 1.0 CA B:LYS352 4.3 50.7 1.0 O B:ALA317 4.3 58.4 1.0 C10 B:WNY505 4.5 60.2 0.8 H13 B:WNY505 4.7 71.8 0.8 H15 B:WNY505 4.7 72.2 0.8 CG B:LYS352 4.9 58.8 1.0 OG1 A:THR179 4.9 70.5 1.0 O B:HOH653 5.0 52.1 1.0 CB B:ALA316 5.0 52.4 1.0

Chlorine binding site 3 out of 5 in the Tubulin-Z275165822-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tubulin-Z275165822-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:76.0 occ:0.74 CL1 B:WNY506 0.0 76.0 0.7 C13 B:WNY506 1.7 65.8 0.7 C15 B:WNY506 2.7 69.2 0.7 C12 B:WNY506 2.7 61.6 0.7 H1 B:WNY506 2.8 83.0 0.7 H14 B:WNY506 2.8 73.9 0.7 C B:THR223 3.1 60.6 1.0 O B:PRO222 3.2 69.3 1.0 O B:THR223 3.3 61.5 1.0 CD1 B:LEU227 3.3 62.5 1.0 C B:PRO222 3.3 70.6 1.0 CA B:THR223 3.3 61.4 1.0 N B:THR223 3.4 66.4 1.0 N B:TYR224 3.4 60.9 1.0 CD2 B:LEU227 3.6 51.6 1.0 CB B:PRO222 3.9 71.4 1.0 C16 B:WNY506 4.0 68.6 0.7 C11 B:WNY506 4.0 63.9 0.7 CG B:LEU227 4.0 56.0 1.0 CA B:TYR224 4.1 54.3 1.0 CA B:PRO222 4.2 74.2 1.0 C10 B:WNY506 4.5 67.0 0.7 CD1 B:TYR224 4.5 49.8 1.0 CD2 B:TYR210 4.6 73.3 1.0 CG1 B:VAL177 4.6 63.8 1.0 H15 B:WNY506 4.7 82.3 0.7 H13 B:WNY506 4.7 76.7 0.7 CB B:LEU227 4.8 53.8 1.0 CB B:THR223 4.8 64.5 1.0 CG B:TYR224 4.9 52.1 1.0 CE1 B:TYR224 5.0 50.7 1.0

Chlorine binding site 4 out of 5 in the Tubulin-Z275165822-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tubulin-Z275165822-Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:55.5 occ:0.78 CL1 C:WNY504 0.0 55.5 0.8 C13 C:WNY504 1.7 54.5 0.8 C15 C:WNY504 2.7 54.8 0.8 C12 C:WNY504 2.7 49.5 0.8 H1 C:WNY504 2.8 65.8 0.8 H14 C:WNY504 2.8 59.4 0.8 CB C:PRO274 3.6 41.0 1.0 CD2 C:LEU286 3.9 60.0 1.0 CG2 C:ILE291 3.9 47.4 1.0 O C:GLU290 4.0 48.5 1.0 C11 C:WNY504 4.0 53.4 0.8 C16 C:WNY504 4.0 55.9 0.8 CA C:ILE291 4.0 45.9 1.0 C C:GLU290 4.1 50.8 1.0 N C:ILE291 4.1 48.0 1.0 CA C:PRO274 4.4 41.2 1.0 CB C:GLU290 4.4 55.9 1.0 CB C:ALA294 4.4 49.9 1.0 C10 C:WNY504 4.5 58.7 0.8 CB C:ILE291 4.5 44.3 1.0 H15 C:WNY504 4.7 67.0 0.8 H13 C:WNY504 4.7 64.1 0.8 CG C:PRO274 4.8 42.3 1.0 CB C:ALA273 4.8 36.7 1.0 CA C:GLU290 4.9 53.6 1.0 O C:HOH722 5.0 44.3 1.0

Chlorine binding site 5 out of 5 in the Tubulin-Z275165822-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tubulin-Z275165822-Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:82.5 occ:0.81 CL1 C:WNY505 0.0 82.5 0.8 C13 C:WNY505 1.7 64.0 0.8 C12 C:WNY505 2.7 62.7 0.8 C15 C:WNY505 2.7 62.4 0.8 H14 C:WNY505 2.8 75.2 0.8 H1 C:WNY505 2.8 74.8 0.8 NE2 B:GLN11 3.5 48.7 1.0 O C:ALA247 3.7 63.0 1.0 C11 C:WNY505 4.0 62.9 0.8 C16 C:WNY505 4.0 63.4 0.8 CD2 B:TYR224 4.4 50.8 1.0 CD B:GLN11 4.4 44.8 1.0 O B:HOH602 4.4 47.4 1.0 CE2 B:TYR224 4.5 53.6 1.0 C10 C:WNY505 4.5 63.8 0.8 H13 C:WNY505 4.7 75.4 0.8 H15 C:WNY505 4.7 76.0 0.8 OE1 B:GLN11 4.7 48.7 1.0 O C:HOH616 4.8 55.0 1.0 C C:ALA247 4.9 66.7 1.0

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