Chlorine in PDB 8r67: Tubulin-Cryptophycin Complex

The structure of Tubulin-Cryptophycin Complex, PDB code: 8r67 was solved by A.C.Abel, T.Muehlethaler, C.Dessin, M.O.Steinmetz, N.Sewald, A.E.Prota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.52 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.75, 158.66, 180.28, 90, 90, 90
R / Rfree (%)	19.4 / 22.9

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

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

The binding sites of Chlorine atom in the Tubulin-Cryptophycin Complex (pdb code 8r67). 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-Cryptophycin Complex, PDB code: 8r67:
Jump to Chlorine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-Cryptophycin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:130.9 occ:1.00 CL09 D:Y74503 0.0 130.9 1.0 C08 D:Y74503 1.8 105.8 1.0 C07 D:Y74503 2.7 96.0 1.0 C10 D:Y74503 2.7 106.1 1.0 O11 D:Y74503 2.9 100.5 1.0 C06 D:Y74503 4.0 94.2 1.0 C13 D:Y74503 4.0 100.4 1.0 C12 D:Y74503 4.3 103.2 1.0 OD2 D:ASP179 4.4 103.2 1.0 C14 D:Y74503 4.5 95.8 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tubulin-Cryptophycin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl504 b:119.7 occ:1.00 CL09 D:Y74504 0.0 119.7 1.0 C08 D:Y74504 1.8 109.4 1.0 C07 D:Y74504 2.7 101.9 1.0 C10 D:Y74504 2.7 115.1 1.0 O11 D:Y74504 2.9 113.6 1.0 C06 D:Y74504 4.0 103.9 1.0 C13 D:Y74504 4.0 114.9 1.0 CG2 D:VAL181 4.3 84.9 1.0 C12 D:Y74504 4.4 117.0 1.0 C14 D:Y74504 4.5 108.4 1.0 CB D:VAL181 4.8 88.7 1.0 CZ D:PHE404 4.9 102.2 1.0

A.C.Abel, T.Muhlethaler, C.Dessin, T.Schachtsiek, B.Sammet, T.Sharpe, M.O.Steinmetz, N.Sewald, A.E.Prota. Bridging the Maytansine and Vinca Sites: Cryptophycins Target Beta-Tubulin'S T5-Loop. J.Biol.Chem. 07363 2024.
ISSN: ESSN 1083-351X
PubMed: 38735475
DOI: 10.1016/J.JBC.2024.107363