2026-01-31_00000225
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ligand
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9S64
Human TEAD1 in complex with 2-(4-chloro-3-{3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)ethan-1-ol;
X-ray diffraction 1.85Å
Protein #1
220 residues (93% resolved)
Raw Sequence ...
GPRSIGTTKLRLVEFSAFLEQQRDPDSYNKHLFVHIGHANHSYSDPLLESVDIRQIYDKFPEKKGGLKELFGKGPQNAFFLVKFWADLNCNIQDDAGAFYGVTSQYESSENMTVTCSTKVCSFGKQVVEKVETEYARFENGRFVYRINRSPMCEYMINFIHKLKHLPEKYMMNSVLENFTILLVVTNRDTQETLLCMACVFEVSNSEHGAQHHIYRLVKD
Canonical Sequence ...
GPRSIGTTKLRLVEFSAFLEQQRDPDSYNKHLFVHIGHANHSYSDPLLESVDIRQIYDKFPEKKGGLKELFGKGPQNAFFLVKFWADLNCNIQDDAGAFYGVTSQYESSENMTVTCSTKVCSFGKQVVEKVETEYARFENGRFVYRINRSPMCEYMINFIHKLKHLPEKYMMNSVLENFTILLVVTNRDTQETLLCMACVFEVSNSEHGAQHHIYRLVKD
Non polymer #2
A1JLZ
InChI=1S/C23H18ClF3N2O2/c1-14-10-15(19-13-29(8-9-30)20-6-7-28-22(24)21(19)20)12-18(11-14)31-17-4-2-16(3-5-17)23(25,26)27/h2-7,10-13,30H,8-9H2,1H3
InChI=1S/C23H18ClF3N2O2/c1-14-10-15(19-13-29(8-9-30)20-6-7-28-22(24)21(19)20)12-18(11-14)31-17-4-2-16(3-5-17)23(25,26)27/h2-7,10-13,30H,8-9H2,1H3
SMILES: Cc1cc(cc(c1)Oc2ccc(cc2)C(F)(F)F)c3cn(c4c3c(ncc4)Cl)CCO
Cc1cc(cc(c1)Oc2ccc(cc2)C(F)(F)F)c3cn(c4c3c(ncc4)Cl)CCO
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
MYR
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
SMILES: CCCCCCCCCCCCCC(=O)O
CCCCCCCCCCCCCC(=O)O
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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