2025-07-26_00000131
|
ligand
|
9HPH
Protein kinase CK2 bound to KDX1381;
X-ray diffraction 2.16Å
Protein #1
359 residues (92% resolved)
Raw Sequence ...
MHHHHHHSSGVDLGTENLYFQSMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS
Canonical Sequence ...
MHHHHHHSSGVDLGTENLYFQSMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS
Non polymer #2
A1IWI
InChI=1S/C32H32F2N6O4S/c1-20(41)32-31(25-17-23(33)7-10-27(25)36-32)28-19-40(38-37-28)18-21-11-14-39(15-12-21)16-13-35-45(43,44)24-8-5-22(6-9-24)30-26(34)3-2-4-29(30)42/h2-10,17,19,21,35-36,42H,11-16,18H2,1H3
InChI=1S/C32H32F2N6O4S/c1-20(41)32-31(25-17-23(33)7-10-27(25)36-32)28-19-40(38-37-28)18-21-11-14-39(15-12-21)16-13-35-45(43,44)24-8-5-22(6-9-24)30-26(34)3-2-4-29(30)42/h2-10,17,19,21,35-36,42H,11-16,18H2,1H3
SMILES: CC(=O)c1c(c2cc(ccc2[nH]1)F)c3cn(nn3)CC4CCN(CC4)CCNS(=O)(=O)c5ccc(cc5)c6c(cccc6F)O
CC(=O)c1c(c2cc(ccc2[nH]1)F)c3cn(nn3)CC4CCN(CC4)CCNS(=O)(=O)c5ccc(cc5)c6c(cccc6F)O
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%