2025-11-01_00000161|ligand|9E6U

Crystal structure of human Taspase1 in complex with ligand SMDC1041556; X-ray diffraction 2.49Å
Protein #1 394 residues (78% resolved)

MGSSHHHHHHSQDRGGFVLVHAGAGYHSESKAKEYKHVCKRACQKAIEKLQAGALATDAVTAALVELEDSPFTNAGMGSNLNLLGEIECDASIMDGKSLNFGAVGALSGIKNPVSVANRLLCEGQKGKLSAGRIPPCFLVGEGAYRWAVDHGIPSCPPNIMTTRFSLAAFKRNKRKLELAERVDTDFMQLKKRRQSSEKENDSGTLDTVGAVVVDHEGNVAAAVSSGGLALKHPGRVGQAALYGCGCWAENTGAHNPYSTAVSTSGCGEHLVRTILARECSHALQAEDAHQALLETMQNKFISSPFLASEDGVLGGVIVLRSCRCSAEPDSSQNKQTLLVEFLWSHTTESMCVGYMSAQDGKAKTHISRLPPGAVAGQSVAIEGGVCRLESPVN

MGSSHHHHHHSQDRGGFVLVHAGAGYHSESKAKEYKHVCKRACQKAIEKLQAGALATDAVTAALVELEDSPFTNAGMGSNLNLLGEIECDASIMDGKSLNFGAVGALSGIKNPVSVANRLLCEGQKGKLSAGRIPPCFLVGEGAYRWAVDHGIPSCPPNIMTTRFSLAAFKRNKRKLELAERVDTDFMQLKKRRQSSEKENDSGTLDTVGAVVVDHEGNVAAAVSSGGLALKHPGRVGQAALYGCGCWAENTGAHNPYSTAVSTSGCGEHLVRTILARECSHALQAEDAHQALLETMQNKFISSPFLASEDGVLGGVIVLRSCRCSAEPDSSQNKQTLLVEFLWSHTTESMCVGYMSAQDGKAKTHISRLPPGAVAGQSVAIEGGVCRLESPVN
Non polymer #2 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #3 U47

InChI=1S/C18H21F4N5O4S/c1-2-32(28,29)27-6-5-26(15(10-27)12-30-11-14-8-23-25-24-14)9-13-3-4-17(16(19)7-13)31-18(20,21)22/h2-4,7-8,15H,1,5-6,9-12H2,(H,23,24,25)/t15-/m1/s1

C=CS(=O)(=O)N1CCN([C@H](C1)COCc2c[nH]nn2)Cc3ccc(c(c3)F)OC(F)(F)F
Download coordinates
Reference