2025-04-12_00000264
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ligand
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9IXT
Crystal structure of TEAD3 YAP binding domain with compound 2;
X-ray diffraction 2.50Å
Protein #1
222 residues (100% resolved)
Raw Sequence ...
GSQDRTIASSRLRLLEYSAFMEVQRDPDTYSKHLFVHIGQTNPAFSDPPLEAVDVRQIYDKFPEKKGGLKELYEKGPPNAFFLVKFWADLNSTIQEGPGAFYGVSSQYSSADSMTISVSTKVCSFGKQVVEKVETEYARLENGRFVYRIHRSPMCEYMINFIHKLKHLPEKYMMNSVLENFTILQVVTSRDSQETLLVIAFVFEVSTSEHGAQHHVYKLVKD
Canonical Sequence ...
GSQDRTIASSRLRLLEYSAFMEVQRDPDTYSKHLFVHIGQTNPAFSDPPLEAVDVRQIYDKFPEKKGGLKELYEKGPPNAFFLVKFWADLNSTIQEGPGAFYGVSSQYSSADSMTISVSTKVCSFGKQVVEKVETEYARLENGRFVYRIHRSPMCEYMINFIHKLKHLPEKYMMNSVLENFTILQVVTSRDSQETLLVIAFVFEVSTSEHGAQHHVYKLVKD
Non polymer #2
A1L3M
InChI=1S/C27H26F3N3O2/c28-27(29,30)21-11-9-18(10-12-21)22-8-4-7-20-17-33(16-15-23(20)22)26(35)32-24(13-14-25(31)34)19-5-2-1-3-6-19/h1-12,24H,13-17H2,(H2,31,34)(H,32,35)/t24-/m1/s1
InChI=1S/C27H26F3N3O2/c28-27(29,30)21-11-9-18(10-12-21)22-8-4-7-20-17-33(16-15-23(20)22)26(35)32-24(13-14-25(31)34)19-5-2-1-3-6-19/h1-12,24H,13-17H2,(H2,31,34)(H,32,35)/t24-/m1/s1
SMILES: c1ccc(cc1)[C@H](CCC(=O)N)NC(=O)N2CCc3c(cccc3c4ccc(cc4)C(F)(F)F)C2
c1ccc(cc1)[C@H](CCC(=O)N)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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Model
Reference
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