2026-10-31_00000640
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ligand
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37OB
PLK4-T170D (inactive) in complex with Cpd34;
X-ray diffraction 2.01Å
Protein #1
278 residues (81% resolved)
Raw Sequence ...
SLATCIGEKIEDFKVGNLLGKGSFAGVYRAESIHTGLEVAIKMIDKKAMYKAGMVQRVQNEVKIHCQLKHPSILELYNYFEDSNYVYLVLEMCHNGEMNRYLKNRVKPFSENEARHFMHQIITGMLYLHSHGILHRDLTLSNLLLTRNMNIKIADFGLATQLKMPHEKHYTLCGTPNYISPEIATRSAHGLESDVWSLGCMFYTLLIGRPPFDTDTVKNTLNKVVLADYEMPSFLSIEAKDLIHQLLRRNPADRLSLSSVLDHPFMSRNSSTKSKDEG
Canonical Sequence ...
SLATCIGEKIEDFKVGNLLGKGSFAGVYRAESIHTGLEVAIKMIDKKAMYKAGMVQRVQNEVKIHCQLKHPSILELYNYFEDSNYVYLVLEMCHNGEMNRYLKNRVKPFSENEARHFMHQIITGMLYLHSHGILHRDLTLSNLLLTRNMNIKIADFGLATQLKMPHEKHYTLCGTPNYISPEIATRSAHGLESDVWSLGCMFYTLLIGRPPFDTDTVKNTLNKVVLADYEMPSFLSIEAKDLIHQLLRRNPADRLSLSSVLDHPFMSRNSSTKSKDEG
Non polymer #2
A1DQD
InChI=1S/C26H29F7N8O2/c1-22(2,27)13-41-18-7-16(34-8-15(18)20(38-41)39-10-14(11-39)25(28,29)30)19-17(9-35-37-19)36-21(42)40-6-5-24(43,26(31,32)33)12-23(40)3-4-23/h7-9,14,43H,3-6,10-13H2,1-2H3,(H,35,37)(H,36,42)/t24-/m1/s1
InChI=1S/C26H29F7N8O2/c1-22(2,27)13-41-18-7-16(34-8-15(18)20(38-41)39-10-14(11-39)25(28,29)30)19-17(9-35-37-19)36-21(42)40-6-5-24(43,26(31,32)33)12-23(40)3-4-23/h7-9,14,43H,3-6,10-13H2,1-2H3,(H,35,37)(H,36,42)/t24-/m1/s1
SMILES: CC(C)(Cn1c2cc(ncc2c(n1)N3CC(C3)C(F)(F)F)c4c(c[nH]n4)NC(=O)N5CC[C@@](CC56CC6)(C(F)(F)F)O)F
CC(C)(Cn1c2cc(ncc2c(n1)N3CC(C3)C(F)(F)F)c4c(c[nH]n4)NC(=O)N5CC[C@@](CC56CC6)(C(F)(F)F)O)F
Biounit #1
monomer
Download coordinates
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Model
Reference
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