2026-03-07_00000078
|
ligand
|
9LRP
The crystal structure of PDE4D with 13c;
X-ray diffraction 2.10Å
Protein #1
335 residues (97% resolved)
Raw Sequence ...
SIPRFGVKTEQEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQERDLLKTFKIPVDTLITYLMTLEDHYHADVAYHNNIHAADVVQSTHVLLSTPALEAVFTDLEILAAIFASAIHDVDHPGVSNQFLINTNSELALMYNDSSVLENHHLAVGFKLLQEENCDIFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTMVETKKVTSSGVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYRQWTDRIMEEFFRQGDRERERGMEISPMCDKHNASVEKSQVGFIDYIVHPLWETWADLVHPDAQDILDTLEDNREWYQSTIPQ
Canonical Sequence ...
SIPRFGVKTEQEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQERDLLKTFKIPVDTLITYLMTLEDHYHADVAYHNNIHAADVVQSTHVLLSTPALEAVFTDLEILAAIFASAIHDVDHPGVSNQFLINTNSELALMYNDSSVLENHHLAVGFKLLQEENCDIFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTMVETKKVTSSGVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYRQWTDRIMEEFFRQGDRERERGMEISPMCDKHNASVEKSQVGFIDYIVHPLWETWADLVHPDAQDILDTLEDNREWYQSTIPQ
Non polymer #2
A1ELB
InChI=1S/C14H17BrN8O2/c1-22-7-8(5-18-22)9-6-19-23-12(16)11(15)13(20-14(9)23)17-4-2-3-10(24)21-25/h5-7,25H,2-4,16H2,1H3,(H,17,20)(H,21,24)
InChI=1S/C14H17BrN8O2/c1-22-7-8(5-18-22)9-6-19-23-12(16)11(15)13(20-14(9)23)17-4-2-3-10(24)21-25/h5-7,25H,2-4,16H2,1H3,(H,17,20)(H,21,24)
SMILES: Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)NCCCC(=O)NO
Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)NCCCC(=O)NO
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%