2025-12-20_00000272
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ligand
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9S1N
Crystal structure of DNPH1 bound by compound 19;
X-ray diffraction 1.50Å
Protein #1
152 residues (92% resolved)
Raw Sequence ...
MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Canonical Sequence ...
MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Non polymer #2
A1JKZ
InChI=1S/C23H23BrN4O3/c24-20-4-3-15-6-9-28(10-7-17(15)12-20)23-25-21(31-26-23)14-27-8-5-16-1-2-18(22(29)30)11-19(16)13-27/h1-4,11-12H,5-10,13-14H2,(H,29,30)
InChI=1S/C23H23BrN4O3/c24-20-4-3-15-6-9-28(10-7-17(15)12-20)23-25-21(31-26-23)14-27-8-5-16-1-2-18(22(29)30)11-19(16)13-27/h1-4,11-12H,5-10,13-14H2,(H,29,30)
SMILES: c1cc2c(cc1C(=O)O)CN(CC2)Cc3nc(no3)N4CCc5ccc(cc5CC4)Br
c1cc2c(cc1C(=O)O)CN(CC2)Cc3nc(no3)N4CCc5ccc(cc5CC4)Br
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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