6K9V

Crystal structure of tubulin in complex with inhibitor D64

Summary for 6K9V

• Entry DOI: 10.2210/pdb6k9v/pdb
• Descriptor: Tubulin alpha-1B chain, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... (12 entities in total)
• Functional Keywords: tubulin, inhibitor, complex, cell cycle, structural protein
• Biological source: Rattus norvegicus (Rat); More
• Total number of polymer chains: 6
• Total formula weight: 264682.33

Authors

Yu, Y.,Chen, Q. (deposition date: 2019-06-18, release date: 2019-08-28, Last modification date: 2023-11-22)

Primary citation

Li, Y.,Yang, J.,Niu, L.,Hu, D.,Li, H.,Chen, L.,Yu, Y.,Chen, Q.
Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.
Febs Lett., 594:199-204, 2020

PubMed Abstract: Microtubules are composed of αβ-tubulin heterodimers, and drugs that interfere with microtubule dynamics are used widely in cancer chemotherapy. Small synthetic molecules with an indole nucleus as a core structure have been identified as microtubule inhibitors and recognized as anticancer agents. However, structural information for the interactions between indole derivatives and tubulin is sparse. Here, we present the 2.55 Å crystal structure of tubulin in complex with the indole derivative D64131. We compare the binding modes of D64131, colchicine, and five other indole derivatives to tubulin. These results reveal the interactions between the indole derivatives and tubulin, explain previous results of structure-activity-relationship (SAR) studies and, thus, provide insights into the development of new indole derivatives targeting the colchicine binding site.

PubMed: 31369682
DOI: 10.1002/1873-3468.13566

Experimental method

X-RAY DIFFRACTION (2.543 Å)