2024-02-10_00000060
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ligand
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8G4A
Human ARNT PAS-B complexed with KG-548 small molecule;
X-ray diffraction 1.97Å
Protein #1
119 residues (89% resolved)
Raw Sequence ...
GAMDNVCQPTEFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVKNSSQE
Canonical Sequence ...
GAMDNVCQPTEFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVKNSSQE
Non polymer #2
YL8
InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
SMILES: c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2n[nH]nn2
c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2n[nH]nn2
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%