Chlorine in PDB 8clh: Drug Cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) Bound to Tubulin (T2R-Ttl) Complex

The structure of Drug Cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) Bound to Tubulin (T2R-Ttl) Complex, PDB code: 8clh was solved by M.Wranik, Q.Bertrand, M.W.Kepa, T.Weinert, M.Steinmetz, J.Standfuss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.29 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107, 160.34, 181.92, 90, 90, 90
R / Rfree (%)	18.5 / 23.9

The structure of Drug Cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) Bound to Tubulin (T2R-Ttl) Complex also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Chlorine atom in the Drug Cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) Bound to Tubulin (T2R-Ttl) Complex (pdb code 8clh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Drug Cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) Bound to Tubulin (T2R-Ttl) Complex, PDB code: 8clh:

Chlorine binding site 1 out of 1 in the Drug Cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) Bound to Tubulin (T2R-Ttl) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Drug Cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) Bound to Tubulin (T2R-Ttl) Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl504 b:109.9 occ:1.00 CL4 D:BKF504 0.0 109.9 1.0 C01 D:BKF504 1.7 116.9 1.0 C06 D:BKF504 2.7 119.0 1.0 C02 D:BKF504 2.7 117.8 1.0 H432 D:BKF504 2.9 159.1 1.0 O42 D:BKF504 2.9 127.7 1.0 N07 D:BKF504 3.0 117.8 1.0 O09 D:BKF504 3.0 109.9 1.0 C43 D:BKF504 3.2 133.8 1.0 H431 D:BKF504 3.3 159.1 1.0 C08 D:BKF504 3.4 110.3 1.0 H412 D:BKF504 3.6 127.0 1.0 C41 D:BKF504 3.8 107.0 1.0 CZ D:PHE404 3.9 120.7 1.0 H413 D:BKF504 4.0 127.0 1.0 C05 D:BKF504 4.0 123.6 1.0 C03 D:BKF504 4.0 118.0 1.0 H433 D:BKF504 4.3 159.1 1.0 CG1 D:VAL181 4.3 91.8 1.0 C04 D:BKF504 4.5 116.1 1.0 H132 D:BKF504 4.6 114.3 1.0 CE2 D:PHE404 4.6 117.9 1.0 CG2 D:VAL181 4.6 91.5 1.0 CE1 D:PHE404 4.7 119.4 1.0 H411 D:BKF504 4.8 127.0 1.0 C10 D:BKF504 4.8 107.7 1.0 H031 D:BKF504 4.8 140.2 1.0 H051 D:BKF504 4.9 146.9 1.0

M.Wranik, M.W.Kepa, E.V.Beale, D.James, Q.Bertrand, T.Weinert, A.Furrer, H.Glover, D.Gashi, M.Carrillo, Y.Kondo, R.T.Stipp, G.Khusainov, K.Nass, D.Ozerov, C.Cirelli, P.J.M.Johnson, F.Dworkowski, J.H.Beale, S.Stubbs, T.Zamofing, M.Schneider, K.Krauskopf, L.Gao, O.Thorn-Seshold, C.Bostedt, C.Bacellar, M.O.Steinmetz, C.Milne, J.Standfuss. A Multi-Reservoir Extruder For Time-Resolved Serial Protein Crystallography and Compound Screening at X-Ray Free-Electron Lasers. Nat Commun V. 14 7956 2023.
ISSN: ESSN 2041-1723
PubMed: 38042952
DOI: 10.1038/S41467-023-43523-5