7cno

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Phomopsin A in complex with tubulin

Structural highlights

7cno is a 6 chain structure with sequence from Gallus gallus, Mus musculus and Sus scrofa. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.5Å
Ligands:ACP, CA, CL, GDP, GTP, HOS, MES, MG
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

TBA1B_PIG 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

Tubulin vinca-domain ligands can inhibit microtubule polymerization, causing cell death in mitosis, and their potential against multiple cancer types has been demonstrated. However, due to drug resistance and toxicities, development of novel vinca-domain ligands is still needed. In this study, we determined the high-resolution crystal structures of vinorelbine, YXD, and Phomopsin A in complex with tubulin at 2.5 A. Additionally, we recapitulated all previously published high-resolution crystal structures of the vinca binding site to reveal critical residues and the molecular mechanism of vinca-domain ligands interacting with tubulin. Furthermore, we designed putatively novel triazolopyrimidine derivatives by introducing secondary amine groups to establish salt-bridge and H-bond interactions with Asp179(beta1) and Asn329(alpha2) . Our studies provided the structural basis for designing novel tubulin vinca-domain ligands.

The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.,Chengyong W, Jinghong X, Yanyan W, Qing-Jie X, Lingling M, Yuyan L, Hai C, Qian L, Quan Z, Bo S, Yuxi W FEBS Lett. 2021 Jan;595(2):195-205. doi: 10.1002/1873-3468.14003. Epub 2021 Jan , 10. PMID:33220079[1]

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

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See Also

References

  1. ↑ Chengyong W, Jinghong X, Yanyan W, Qing-Jie X, Lingling M, Yuyan L, Hai C, Qian L, Quan Z, Bo S, Yuxi W. The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design. FEBS Lett. 2021 Jan;595(2):195-205. PMID:33220079 doi:10.1002/1873-3468.14003

Contents


PDB ID 7cno

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OCA

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