Chlorine in PDB 7e4r: Crystal Structure of Tubulin in Complex with D-DM1-Sme

The structure of Crystal Structure of Tubulin in Complex with D-DM1-Sme, PDB code: 7e4r was solved by Y.Wang, W.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.45 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.982, 157.229, 182.574, 90, 90, 90
R / Rfree (%)	22.4 / 26.5

The structure of Crystal Structure of Tubulin in Complex with D-DM1-Sme also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Crystal Structure of Tubulin in Complex with D-DM1-Sme (pdb code 7e4r). 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 Crystal Structure of Tubulin in Complex with D-DM1-Sme, PDB code: 7e4r:

Chlorine binding site 1 out of 1 in the Crystal Structure of Tubulin in Complex with D-DM1-Sme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Tubulin in Complex with D-DM1-Sme within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:182.4 occ:1.00 CL1 D:HZ0502 0.0 182.4 1.0 C15 D:HZ0502 1.7 121.4 1.0 C17 D:HZ0502 2.7 117.5 1.0 C12 D:HZ0502 2.7 120.6 1.0 HZ D:PHE394 2.8 125.0 1.0 HG21 D:VAL179 3.0 131.7 1.0 O13 D:HZ0502 3.1 128.2 1.0 N19 D:HZ0502 3.1 117.3 1.0 C20 D:HZ0502 3.4 97.3 1.0 CZ D:PHE394 3.5 104.1 1.0 HE1 D:PHE394 3.8 115.8 1.0 HG11 D:VAL179 3.9 80.9 1.0 CG2 D:VAL179 3.9 109.7 1.0 CE1 D:PHE394 4.0 96.5 1.0 H141 D:HZ0502 4.0 153.6 1.0 C18 D:HZ0502 4.0 113.4 1.0 C14 D:HZ0502 4.0 128.0 1.0 C21 D:HZ0502 4.0 102.0 1.0 C11 D:HZ0502 4.0 111.1 1.0 HG23 D:VAL179 4.2 131.7 1.0 H142 D:HZ0502 4.2 153.6 1.0 HB D:VAL179 4.2 103.8 1.0 CE2 D:PHE394 4.5 100.2 1.0 CB D:VAL179 4.5 86.5 1.0 C23 D:HZ0502 4.6 97.1 1.0 HG22 D:VAL179 4.6 131.7 1.0 C10 D:HZ0502 4.6 109.9 1.0 HE2 D:PHE394 4.6 120.3 1.0 CG1 D:VAL179 4.7 67.4 1.0 O22 D:HZ0502 4.8 108.5 1.0

W.Li, M.Huang, Y.Li, A.Xia, L.Tan, Z.Zhang, Y.Wang, J.Yang. C3 Ester Side Chain Plays A Pivotal Role in the Antitumor Activity of Maytansinoids. Biochem.Biophys.Res.Commun. V. 566 197 2021.
ISSN: ESSN 1090-2104
PubMed: 34144258
DOI: 10.1016/J.BBRC.2021.05.071