2024-09-14_00000098
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ligand
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8VDI
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) in Ternary Complex with DB2447;
X-ray diffraction 1.93Å
DNA #1
16 bases
Raw Sequence ...
(DA)(DA)(DT)(DA)(DA)(DG)(DA)(DG)(DG)(DA)(DA)(DG)(DT)(DG)(DG)(DG)
Canonical Sequence ...
AATAAGAGGAAGTGGG
DNA #2
16 bases
Raw Sequence ...
(DT)(DC)(DC)(DC)(DA)(DC)(DT)(DT)(DC)(DC)(DT)(DC)(DT)(DT)(DA)(DT)
Canonical Sequence ...
TCCCACTTCCTCTTAT
Protein #3
106 residues (86% resolved)
Raw Sequence ...
GSKKKIRLYQFLLDLLRSGDMKDSIWWVDKDKGTFQFSSKHKEALAHRWGIQKGNRKKMTYQKMARALRNYGKTGEVKKVKKKLTYQFSGEVLGRGGLAERRHPPH
Canonical Sequence ...
GSKKKIRLYQFLLDLLRSGDMKDSIWWVDKDKGTFQFSSKHKEALAHRWGIQKGNRKKMTYQKMARALRNYGKTGEVKKVKKKLTYQFSGEVLGRGGLAERRHPPH
Non polymer #4
A1AAQ
InChI=1S/C21H21N5O2/c22-20(23)14-4-8-18(9-5-14)27-12-16-2-1-3-17(26-16)13-28-19-10-6-15(7-11-19)21(24)25/h1-11H,12-13H2,(H3,22,23)(H3,24,25)
InChI=1S/C21H21N5O2/c22-20(23)14-4-8-18(9-5-14)27-12-16-2-1-3-17(26-16)13-28-19-10-6-15(7-11-19)21(24)25/h1-11H,12-13H2,(H3,22,23)(H3,24,25)
SMILES: [H]/N=C(N)/c1ccc(cc1)OCc2nc(ccc2)COc3ccc(cc3)/C(=N[H])/N
[H]/N=C(N)/c1ccc(cc1)OCc2nc(ccc2)COc3ccc(cc3)/C(=N[H])/N
Biounit #1
hetero-1-1-1-mer
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Model
Reference
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