2025-04-12_00000263
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ligand
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9IXS
Crystal structure of TEAD3 YAP binding domain with compound 1;
X-ray diffraction 2.91Å
Protein #1
222 residues (97% resolved)
Raw Sequence ...
GSQDRTIASSRLRLLEYSAFMEVQRDPDTYSKHLFVHIGQTNPAFSDPPLEAVDVRQIYDKFPEKKGGLKELYEKGPPNAFFLVKFWADLNSTIQEGPGAFYGVSSQYSSADSMTISVSTKVCSFGKQVVEKVETEYARLENGRFVYRIHRSPMCEYMINFIHKLKHLPEKYMMNSVLENFTILQVVTSRDSQETLLVIAFVFEVSTSEHGAQHHVYKLVKD
Canonical Sequence ...
GSQDRTIASSRLRLLEYSAFMEVQRDPDTYSKHLFVHIGQTNPAFSDPPLEAVDVRQIYDKFPEKKGGLKELYEKGPPNAFFLVKFWADLNSTIQEGPGAFYGVSSQYSSADSMTISVSTKVCSFGKQVVEKVETEYARLENGRFVYRIHRSPMCEYMINFIHKLKHLPEKYMMNSVLENFTILQVVTSRDSQETLLVIAFVFEVSTSEHGAQHHVYKLVKD
Non polymer #2
A1L3K
InChI=1S/C25H23F3N2O/c1-17(18-6-3-2-4-7-18)29-24(31)30-15-14-23-20(16-30)8-5-9-22(23)19-10-12-21(13-11-19)25(26,27)28/h2-13,17H,14-16H2,1H3,(H,29,31)/t17-/m1/s1
InChI=1S/C25H23F3N2O/c1-17(18-6-3-2-4-7-18)29-24(31)30-15-14-23-20(16-30)8-5-9-22(23)19-10-12-21(13-11-19)25(26,27)28/h2-13,17H,14-16H2,1H3,(H,29,31)/t17-/m1/s1
SMILES: C[C@@H](c1ccccc1)NC(=O)N2CCc3c(cccc3c4ccc(cc4)C(F)(F)F)C2
C[C@@H](c1ccccc1)NC(=O)N2CCc3c(cccc3c4ccc(cc4)C(F)(F)F)C2
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Reference
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