6E5G

Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator

Summary for 6E5G

DescriptorTranscriptional enhancer factor TEF-4, 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one (3 entities in total)
Functional Keywordsinhibitor, transcription-inhibitor complex, transcription/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight53987.01
Authors
Bum-Erdene, K.,Gonzalez-Gutierrez, G.,Meroueh, S.O. (deposition date: 2018-07-20, release date: 2019-01-09)
Primary citation
Bum-Erdene, K.,Zhou, D.,Gonzalez-Gutierrez, G.,Ghozayel, M.K.,Si, Y.,Xu, D.,Shannon, H.E.,Bailey, B.J.,Corson, T.W.,Pollok, K.E.,Wells, C.D.,Meroueh, S.O.
Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 2018
PubMed: 30581134 (PDB entries with the same primary citation)
DOI: 10.1016/j.chembiol.2018.11.010
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.43 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2662 0.5% 1.3% 5.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6e5g
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Molmil generated image of 6e5g
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More Biological unit images

Molmil generated image of 6e5g
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Molmil generated image of 6e5g
rotated about x axis by 90°
Molmil generated image of 6e5g
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6e5g.pdb2.gz [69.73 KB])
Coordinate files for Biological unit (6e5g.pdb1.gz [70.23 KB])
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