2025-12-20_00000268
|
ligand
|
9RPO
Crystal structure of DNPH1 bound by compound 3;
X-ray diffraction 2.02Å
Protein #1
152 residues (80% resolved)
Raw Sequence ...
MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Canonical Sequence ...
MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Non polymer #2
A1JH5
InChI=1S/C19H25ClN4O2/c1-19(2,3)18(26)24-10-8-23(9-11-24)17(25)15-12-21-16(22-15)13-4-6-14(20)7-5-13/h4,6-7,12,21-22H,5,8-11H2,1-3H3/b16-13-
InChI=1S/C19H25ClN4O2/c1-19(2,3)18(26)24-10-8-23(9-11-24)17(25)15-12-21-16(22-15)13-4-6-14(20)7-5-13/h4,6-7,12,21-22H,5,8-11H2,1-3H3/b16-13-
SMILES: CC(C)(C)C(=O)N1CCN(CC1)C(=O)C2=CN/C(=C\3/CC=C(C=C3)Cl)/N2
CC(C)(C)C(=O)N1CCN(CC1)C(=O)C2=CN/C(=C\3/CC=C(C=C3)Cl)/N2
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%