2025-05-03_00000157
|
ligand
|
9LFU
Crystal structure of human RIP3 kinase domain complexed with LK01003;
X-ray diffraction 2.93Å
Protein #1
346 residues (83% resolved)
Raw Sequence ...
MSYYHHHHHHHHHHDYDIPTTENLYFQGAMGSSSVKLWPSGAPAPLVSIEELENQELVGKGGFGTVFRAQHRKWGYDVAVKIVNSKAISREVKAMASLDNEFVLRLEGVIEKVNWDQDPKPALVTKFMENGSLSGLLQSQAPRPWPLLCRLLKEVVLGMFYLHDQNPVLLHRDLKPSNVLLDPELHVKLADFGLSTFQGGSQSGTGSGEPGGTLGYLAPELFVNVNRKASTASDVYSFGILMWAVLAGREVELPTEPSLVYEAVCNRQNRPSLAELPQAGPETPGLEGLKELMQLCWSSEPKDRPSFQECLPKTDEVFQMVENNMNAAVSTVKDFLSQLRSSNRRF
Canonical Sequence ...
MSYYHHHHHHHHHHDYDIPTTENLYFQGAMGSSSVKLWPSGAPAPLVSIEELENQELVGKGGFGTVFRAQHRKWGYDVAVKIVNSKAISREVKAMASLDNEFVLRLEGVIEKVNWDQDPKPALVTKFMENGSLSGLLQSQAPRPWPLLCRLLKEVVLGMFYLHDQNPVLLHRDLKPSNVLLDPELHVKLADFGLSTFQGGSQSGTGSGEPGGTLGYLAPELFVNVNRKASTASDVYSFGILMWAVLAGREVELPTEPSLVYEAVCNRQNRPSLAELPQAGPETPGLEGLKELMQLCWSSEPKDRPSFQECLPKTDEVFQMVENNMNAAVSTVKDFLSQLRSSNRRF
Non polymer #2
A1D97
InChI=1S/C24H25N3O2S2/c1-15(2)31(28,29)18-8-9-20-19(14-18)21(11-12-25-20)26-17-7-10-23-22(13-17)27-24(30-23)16-5-3-4-6-16/h7-16H,3-6H2,1-2H3,(H,25,26)
InChI=1S/C24H25N3O2S2/c1-15(2)31(28,29)18-8-9-20-19(14-18)21(11-12-25-20)26-17-7-10-23-22(13-17)27-24(30-23)16-5-3-4-6-16/h7-16H,3-6H2,1-2H3,(H,25,26)
SMILES: CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)nc(s4)C5CCCC5
CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)nc(s4)C5CCCC5
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%