2025-02-01_00000154
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ligand
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9DA3
Crystal structure of human DNPH1 bound to inhibitor 2a;
X-ray diffraction 1.51Å
Protein #1
145 residues (86% resolved)
Raw Sequence ...
SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
Canonical Sequence ...
SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
Non polymer #2
A1BBD
InChI=1S/C12H19N2O7P/c15-6-9-1-8(2-13-12(9)17)3-14-4-10(11(16)5-14)7-21-22(18,19)20/h1-2,10-11,15-16H,3-7H2,(H,13,17)(H2,18,19,20)/t10-,11+/m1/s1
InChI=1S/C12H19N2O7P/c15-6-9-1-8(2-13-12(9)17)3-14-4-10(11(16)5-14)7-21-22(18,19)20/h1-2,10-11,15-16H,3-7H2,(H,13,17)(H2,18,19,20)/t10-,11+/m1/s1
SMILES: C1[C@@H]([C@H](CN1CC2=CNC(=O)C(=C2)CO)O)COP(=O)(O)O
C1[C@@H]([C@H](CN1CC2=CNC(=O)C(=C2)CO)O)COP(=O)(O)O
Biounit #1
homo-dimer
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Model
Reference
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