2025-11-29_00000111
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ligand
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9M2E
Crystal Structure of Nur77 LBD in complex with DBIC compound;
X-ray diffraction 2.58Å
Protein #1
248 residues (93% resolved)
Raw Sequence ...
SKPKQPPDASPANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPHFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFILRLAYRSKPGEGKLIFCSGLVLHRLQCARGFGDWIDSILAFSRSLHSLLVDVPAFACLSALVLITDRHGLQEPRRVEELQNRIASCLKEHVAAVAGEPQPASCLSRLLGKLPELRTLCTQGLQRIFYLKLEDLVPPPPIIDKIFMDTLPF
Canonical Sequence ...
SKPKQPPDASPANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPHFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFILRLAYRSKPGEGKLIFCSGLVLHRLQCARGFGDWIDSILAFSRSLHSLLVDVPAFACLSALVLITDRHGLQEPRRVEELQNRIASCLKEHVAAVAGEPQPASCLSRLLGKLPELRTLCTQGLQRIFYLKLEDLVPPPPIIDKIFMDTLPF
Non polymer #2
A1D7W
InChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-24-20(23)17-12-13-18-19(15-17)22-16-21-18/h12-13,15-16H,2-11,14H2,1H3,(H,21,22)
InChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-24-20(23)17-12-13-18-19(15-17)22-16-21-18/h12-13,15-16H,2-11,14H2,1H3,(H,21,22)
SMILES: CCCCCCCCCCCCOC(=O)c1ccc2c(c1)nc[nH]2
CCCCCCCCCCCCOC(=O)c1ccc2c(c1)nc[nH]2
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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