PDB entry 5oto

View 5oto on RCSB PDB site
Description: The crystal structure of CK2alpha in complex with compound 30
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: 1.51 Å
R-factor: N/A
AEROSPACI score: 0.48 (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 (24-End)
      • engineered mutation (43)
    Domains in SCOPe 2.08: d5otoa_
  • 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: d5otob_
  • Heterogens: ACT, AQW, PO4, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >5otoA (A:)
    sgpvpsrarvytdvnthrpseywdyeshvvewgnqddyqlvrklgrgkysevfeainitn
    nekvvvkilkpvkkkkikreikilenlrggpniitladivkdpvsrtpalvfehvnntdf
    kqlyqtltdydirfymyeilkaldychsmgimhrdvkphnvmidhehrklrlidwglaef
    yhpgqeynvrvasryfkgpellvdyqmydysldmwslgcmlasmifrkepffhghdnydq
    lvriakvlgtedlydyidkynieldprfndilgrhsrkrwerfvhsenqhlvspealdfl
    dkllrydhqsrltareamehpyfytvv
    

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

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