2025-02-01_00000157
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ligand
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9DA6
Crystal structure of human DNPH1 bound to inhibitor 3a;
X-ray diffraction 1.35Å
Protein #1
145 residues (90% resolved)
Raw Sequence ...
SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
Canonical Sequence ...
SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
Non polymer #2
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #3
NR1
InChI=1S/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/p+1/t4-,5+/m1/s1
InChI=1S/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/p+1/t4-,5+/m1/s1
SMILES: C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O
C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O
Biounit #1
homo-dimer
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Model
Reference
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