2025-01-11_00000150|hard|8XS6

Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Tapinarof; X-ray diffraction 2.95Å
Protein #1 382 residues (76% resolved)

MDKERLARENHSEIERRRRNKMTAYITELSDMVPTCSALARKPDKLTILRMAVSHMKSLRGTGNTSTDGSYKPSFLTDQELKHLILEAADGFLFIVSCETGRVVYVSDSVTPVLNQPQSEWFGSTLYDQVHPDDVDKLREQLSTSENALTGRILDLKTGTVKKEGQQSSMRMCMGSRRSFICRMRCGSSSVDPVSVNRLSFVRNRCRNGLGSVKDGEPHFVVVHCTGYIKAWPPAGVSLPDDDPEAGQGSKFCLVAIGRLQVTSSPNCTDMSNVCQPTEFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVK

MDKERLARENHSEIERRRRNKMTAYITELSDMVPTCSALARKPDKLTILRMAVSHMKSLRGTGNTSTDGSYKPSFLTDQELKHLILEAADGFLFIVSCETGRVVYVSDSVTPVLNQPQSEWFGSTLYDQVHPDDVDKLREQLSTSENALTGRILDLKTGTVKKEGQQSSMRMCMGSRRSFICRMRCGSSSVDPVSVNRLSFVRNRCRNGLGSVKDGEPHFVVVHCTGYIKAWPPAGVSLPDDDPEAGQGSKFCLVAIGRLQVTSSPNCTDMSNVCQPTEFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVK
Protein #2 395 residues (83% resolved)

MIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVSLKSSPADRNGVQDNCRTKFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCPDSGQRIDEASGLSQPAAYYNPEQLPPENSFMERCFVCRLRCLLDNSSGFLAMNFQGRLKYLHGQNKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPTGCDAKGKIVLGYTEAELCMRGTGYQFIHAADMLYCAEYHVRMIKTGESGMIVFRLLTKDNRWTWVQSNARLVYKNGRPDYIIATQRPLTDEEGKEHLRKRTLKLPFMFATGEAVLYEHHHHHH

MIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVSLKSSPADRNGVQDNCRTKFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCPDSGQRIDEASGLSQPAAYYNPEQLPPENSFMERCFVCRLRCLLDNSSGFLAMNFQGRLKYLHGQNKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPTGCDAKGKIVLGYTEAELCMRGTGYQFIHAADMLYCAEYHVRMIKTGESGMIVFRLLTKDNRWTWVQSNARLVYKNGRPDYIIATQRPLTDEEGKEHLRKRTLKLPFMFATGEAVLYEHHHHHH
DNA #3 21 bases

(DC)(DA)(DT)(DC)(DG)(DG)(DG)(DC)(DA)(DT)(DC)(DG)(DC)(DG)(DT)(DG)(DA)(DC)(DA)(DA)(DG)

CATCGGGCATCGCGTGACAAG
DNA #4 21 bases

(DG)(DC)(DT)(DT)(DG)(DT)(DC)(DA)(DC)(DG)(DC)(DG)(DA)(DT)(DG)(DC)(DC)(DC)(DG)(DA)(DT)

GCTTGTCACGCGATGCCCGAT
Non polymer #5 A1LWH

InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+

CC(C)c1c(cc(cc1O)/C=C/c2ccccc2)O
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Reference