Chlorine in PDB 6qqn: Tubulin-TH588 Complex

The structure of Tubulin-TH588 Complex, PDB code: 6qqn was solved by J.C.Patterson, B.A.Joughin, A.E.Prota, T.Muehlethaler, O.H.Jonas, M.A.Whitman, S.Varmeh, S.Chen, S.P.Balk, M.O.Steinmetz, D.A.Lauffenburger, M.B.Yaffe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.48 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	103.832, 156.186, 179.432, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.4

The structure of Tubulin-TH588 Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Tubulin-TH588 Complex (pdb code 6qqn). 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-TH588 Complex, PDB code: 6qqn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Tubulin-TH588 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-TH588 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:94.4 occ:0.85 CL1 B:2GE504 0.0 94.4 0.8 C09 B:2GE504 1.7 88.2 0.8 C11 B:2GE504 2.7 81.8 0.8 C08 B:2GE504 2.7 89.6 0.8 H8 B:2GE504 2.9 0.5 0.9 CL2 B:2GE504 2.9 79.8 0.8 CB B:TYR202 3.3 42.1 1.0 O B:THR168 3.5 45.2 1.0 CZ B:PHE169 3.6 49.1 1.0 CE2 B:PHE169 3.7 49.2 1.0 CE1 B:PHE169 3.8 42.8 1.0 N B:TYR202 3.9 51.2 1.0 CG B:TYR202 3.9 55.1 0.8 C05 B:2GE504 4.0 86.3 0.8 C07 B:2GE504 4.0 89.6 0.8 CD1 B:TYR202 4.0 65.7 0.8 CD2 B:PHE169 4.1 41.9 1.0 CD1 B:PHE169 4.1 47.0 1.0 CA B:TYR202 4.2 43.5 1.0 C B:THR168 4.2 44.2 1.0 CG B:PHE169 4.2 43.4 1.0 CB B:ASN167 4.4 49.4 1.0 C06 B:2GE504 4.5 89.5 0.8 O B:GLU200 4.5 51.5 1.0 N B:THR168 4.6 42.2 1.0 N B:PHE169 4.7 44.5 1.0 H7 B:2GE504 4.7 0.6 0.9 C B:THR201 4.8 53.9 1.0 CG B:ASN167 4.9 65.6 0.8 CD2 B:TYR202 4.9 54.9 0.8 C B:GLU200 5.0 48.1 1.0 CA B:PHE169 5.0 42.3 1.0

Chlorine binding site 2 out of 2 in the Tubulin-TH588 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tubulin-TH588 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:79.8 occ:0.85 CL2 B:2GE504 0.0 79.8 0.8 C11 B:2GE504 1.7 81.8 0.8 C09 B:2GE504 2.7 88.2 0.8 C05 B:2GE504 2.8 86.3 0.8 CL1 B:2GE504 2.9 94.4 0.8 C04 B:2GE504 3.2 88.6 0.8 CD1 B:TYR202 3.3 65.7 0.8 N03 B:2GE504 3.3 86.3 0.8 CD2 B:PHE268 3.8 45.3 1.0 CE1 B:TYR202 3.9 69.9 0.8 C08 B:2GE504 4.0 89.6 0.8 C06 B:2GE504 4.0 89.5 0.8 CG B:TYR202 4.2 55.1 0.8 CE2 B:PHE268 4.2 53.0 1.0 C13 B:2GE504 4.3 90.5 0.8 CD1 B:ILE378 4.3 72.5 1.0 C02 B:2GE504 4.3 81.6 0.8 CG2 B:ILE378 4.4 52.5 1.0 CB B:TYR202 4.4 42.1 1.0 C07 B:2GE504 4.5 89.6 0.8 H5 B:2GE504 4.6 87.8 0.8 H1 B:2GE504 4.6 0.6 0.9 H8 B:2GE504 4.7 0.5 0.9 H6 B:2GE504 4.8 0.3 0.9 CB B:GLU200 4.8 51.9 1.0 CB B:VAL238 4.8 56.5 1.0 OE2 B:GLU200 4.8 88.8 1.0 N01 B:2GE504 4.9 73.2 0.8 CG B:PHE268 4.9 43.0 1.0 CG2 B:VAL238 4.9 56.2 1.0 CG1 B:ILE378 5.0 63.4 1.0 CA B:TYR202 5.0 43.5 1.0

J.C.Patterson, B.A.Joughin, A.E.Prota, T.Muhlethaler, O.H.Jonas, M.A.Whitman, S.Varmeh, S.Chen, S.P.Balk, M.O.Steinmetz, D.A.Lauffenburger, M.B.Yaffe. Visage Reveals A Targetable Mitotic Spindle Vulnerability in Cancer Cells. Cell Syst V. 9 74 2019.
ISSN: ISSN 2405-4720
PubMed: 31302152
DOI: 10.1016/J.CELS.2019.05.009