6k9v

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Crystal structure of tubulin in complex with inhibitor D64

Structural highlights

6k9v is a 6 chain structure with sequence from Bos taurus, Gallus gallus and Rattus norvegicus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.543Å
Ligands:ACP, CA, D3L, GDP, GTP, MES, MG
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

TBA1B_BOVIN Tubulin is the major constituent of microtubules. It binds two moles of GTP, one at an exchangeable site on the beta chain and one at a non-exchangeable site on the alpha chain.

Publication Abstract from PubMed

Microtubules are composed of alphabeta-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 A 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.

Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.,Li Y, Yang J, Niu L, Hu D, Li H, Chen L, Yu Y, Chen Q FEBS Lett. 2019 Aug 1. doi: 10.1002/1873-3468.13566. PMID:31369682[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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Citations
0 reviews cite this structure
A Rationale for Drug Design Provided by Co-Crystal Structure of IC261 in Complex with Tubulin.
Xian et al. (2021)
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See Also

References

  1. ↑ 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. 2019 Aug 1. doi: 10.1002/1873-3468.13566. PMID:31369682 doi:http://dx.doi.org/10.1002/1873-3468.13566

Contents


PDB ID 6k9v

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