2026-01-10_00000026
|
ligand
|
7I8M
Crystal Structure of 14 bound to CK2a;
X-ray diffraction 1.31Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1B0B
InChI=1S/C27H28ClN5O3/c28-23-13-18(7-8-21(23)19-5-2-1-3-6-19)16-29-12-9-26(34)31-11-4-10-30-24-14-20(27(35)36)15-25-22(24)17-32-33-25/h1-3,5-8,13-15,17,29-30H,4,9-12,16H2,(H,31,34)(H,32,33)(H,35,36)
InChI=1S/C27H28ClN5O3/c28-23-13-18(7-8-21(23)19-5-2-1-3-6-19)16-29-12-9-26(34)31-11-4-10-30-24-14-20(27(35)36)15-25-22(24)17-32-33-25/h1-3,5-8,13-15,17,29-30H,4,9-12,16H2,(H,31,34)(H,32,33)(H,35,36)
SMILES: c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCNc3cc(cc4c3cn[nH]4)C(=O)O
c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCNc3cc(cc4c3cn[nH]4)C(=O)O
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%