2025-02-01_00000156
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ligand
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9DA5
Crystal structure of human DNPH1 bound to inhibitor 2c;
X-ray diffraction 2.82Å
Protein #1
145 residues (86% resolved)
Raw Sequence ...
SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
Canonical Sequence ...
SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
Non polymer #2
A1BBF
InChI=1S/C12H19N2O6P/c15-7-10-1-9(2-13-3-10)4-14-5-11(12(16)6-14)8-20-21(17,18)19/h1-3,11-12,15-16H,4-8H2,(H2,17,18,19)/t11-,12+/m1/s1
InChI=1S/C12H19N2O6P/c15-7-10-1-9(2-13-3-10)4-14-5-11(12(16)6-14)8-20-21(17,18)19/h1-3,11-12,15-16H,4-8H2,(H2,17,18,19)/t11-,12+/m1/s1
SMILES: c1c(cncc1CO)CN2C[C@@H]([C@H](C2)O)COP(=O)(O)O
c1c(cncc1CO)CN2C[C@@H]([C@H](C2)O)COP(=O)(O)O
Biounit #1
homo-dimer
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Model
Reference
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