2025-02-01_00000155
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ligand
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9DA4
Crystal structure of human DNPH1 bound to inhibitor 2b;
X-ray diffraction 1.73Å
Protein #1
145 residues (98% resolved)
Raw Sequence ...
SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
Canonical Sequence ...
SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
Non polymer #2
A1BBE
InChI=1S/C12H18N5O5P/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(9(18)4-17)5-22-23(19,20)21/h1,6,8-9,14,18H,2-5H2,(H2,13,15,16)(H2,19,20,21)/t8-,9+/m1/s1
InChI=1S/C12H18N5O5P/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(9(18)4-17)5-22-23(19,20)21/h1,6,8-9,14,18H,2-5H2,(H2,13,15,16)(H2,19,20,21)/t8-,9+/m1/s1
SMILES: c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)COP(=O)(O)O
c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)COP(=O)(O)O
Biounit #1
homo-dimer
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Model
Reference
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