PDB entry 5oth

View 5oth on RCSB PDB site
Description: The crystal structure of CK2alpha in complex with compound 26
Class: transferase
Keywords: CK2alpha, CK2a, fragment based drug discovery, high concentration screening, selective ATP competitive inhibitors, surface entrophy reduction, TRANSFERASE
Deposited on 2017-08-22, released 2018-02-28
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-05-16, with a file datestamp of 2018-05-11.
Experiment type: XRAY
Resolution: 1.69 Å
R-factor: N/A
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Casein kinase II subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Gene: CSNK2A1, CK2A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P68400
      • engineered mutation (43)
    Domains in SCOPe 2.08: d5otha_
  • Chain 'B':
    Compound: Casein kinase II subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Gene: CSNK2A1, CK2A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P68400
      • engineered mutation (43)
    Domains in SCOPe 2.08: d5othb_
  • Heterogens: AQ8, ACT, PO4, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5othA (A:)
gsmdiefdddadddgsgsgsgsgssgpvpsrarvytdvnthrpseywdyeshvvewgnqd
dyqlvrklgrgkysevfeainitnnekvvvkilkpvkkkkikreikilenlrggpniitl
adivkdpvsrtpalvfehvnntdfkqlyqtltdydirfymyeilkaldychsmgimhrdv
kphnvmidhehrklrlidwglaefyhpgqeynvrvasryfkgpellvdyqmydysldmws
lgcmlasmifrkepffhghdnydqlvriakvlgtedlydyidkynieldprfndilgrhs
rkrwerfvhsenqhlvspealdfldkllrydhqsrltareamehpyfytvvk

    Sequence, based on observed residues (ATOM records): (download) 
    >5othA (A:)
gpvpsrarvytdvnthrpseywdyeshvvewgnqddyqlvrklgrgkysevfeainitnn
ekvvvkilkpvkkkkikreikilenlrggpniitladivkdpvsrtpalvfehvnntdfk
qlyqtltdydirfymyeilkaldychsmgimhrdvkphnvmidhehrklrlidwglaefy
hpgqeynvrvasryfkgpellvdyqmydysldmwslgcmlasmifrkepffhghdnydql
vriakvlgtedlydyidkynieldprfndilgrhsrkrwerfvhsenqhlvspealdfld
kllrydhqsrltareamehpyfytvv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5othB (B:)
gsmdiefdddadddgsgsgsgsgssgpvpsrarvytdvnthrpseywdyeshvvewgnqd
dyqlvrklgrgkysevfeainitnnekvvvkilkpvkkkkikreikilenlrggpniitl
adivkdpvsrtpalvfehvnntdfkqlyqtltdydirfymyeilkaldychsmgimhrdv
kphnvmidhehrklrlidwglaefyhpgqeynvrvasryfkgpellvdyqmydysldmws
lgcmlasmifrkepffhghdnydqlvriakvlgtedlydyidkynieldprfndilgrhs
rkrwerfvhsenqhlvspealdfldkllrydhqsrltareamehpyfytvvk

    Sequence, based on observed residues (ATOM records): (download) 
    >5othB (B:)
pvpsrarvytdvnthrpseywdyeshvvewgnqddyqlvrklgrgkysevfeainitnne
kvvvkilkpvkkkkikreikilenlrggpniitladivkdpvsrtpalvfehvnntdfkq
lyqtltdydirfymyeilkaldychsmgimhrdvkphnvmidhehrklrlidwglaefyh
pgqeynvrvasryfkgpellvdyqmydysldmwslgcmlasmifrkepffhghdnydqlv
riakvlgtedlydyidkynieldprfndilgrhsrkrwerfvhsenqhlvspealdfldk
llrydhqsrltareamehpyfytv