2025-11-08_00000071
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ligand
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9I3Q
Crystal structure of DNPH1 bound by compound 2.;
X-ray diffraction 1.60Å
Protein #1
152 residues (84% resolved)
Raw Sequence ...
MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Canonical Sequence ...
MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Non polymer #2
A1IZR
InChI=1S/C16H15Cl2N3O3S/c1-8(2)9-3-4-13-14(5-9)25(23,24)21-16(20-13)19-10-6-11(17)15(22)12(18)7-10/h3-8,22H,1-2H3,(H2,19,20,21)
InChI=1S/C16H15Cl2N3O3S/c1-8(2)9-3-4-13-14(5-9)25(23,24)21-16(20-13)19-10-6-11(17)15(22)12(18)7-10/h3-8,22H,1-2H3,(H2,19,20,21)
SMILES: CC(C)c1ccc2c(c1)S(=O)(=O)N=C(N2)Nc3cc(c(c(c3)Cl)O)Cl
CC(C)c1ccc2c(c1)S(=O)(=O)N=C(N2)Nc3cc(c(c(c3)Cl)O)Cl
Biounit #1
homo-dimer
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Model
Reference
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