PDB entry 6gmd

View 6gmd on RCSB PDB site
Description: The crystal structure of CK2alpha in complex with compound 3
Class: transferase
Keywords: CK2alpha, CK2a, fragment based drug discovery, high concentration screening, selective ATP competitive inhibitors, surface entrophy reduction, transferase
Deposited on 2018-05-25, released 2018-06-06
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-06-06, with a file datestamp of 2018-06-01.
Experiment type: XRAY
Resolution: 1.66 Å
R-factor: N/A
AEROSPACI score: 0.42 (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 2.07: d6gmda_
  • 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 2.07: d6gmdb_
  • Heterogens: ACT, A8Q, ATP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6gmdA (A:)
    gsmdiefdddadddgsgsgsgsgssgpvpsrarvytdvnthrpseywdyeshvvewgnqd
    dyqlvrklgrgkysevfeainitnnekvvvkilkpvkkkkikreikilenlrggpniitl
    adivkdpvsrtpalvfehvnntdfkqlyqtltdydirfymyeilkaldychsmgimhrdv
    kphnvmidhehrklrlidwglaefyhpgqeynvrvasryfkgpellvdyqmydysldmws
    lgcmlasmifrkepffhghdnydqlvriakvlgtedlydyidkynieldprfndilgrhs
    rkrwerfvhsenqhlvspealdfldkllrydhqsrltareamehpyfytvvk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6gmdA (A:)
    gpvpsrarvytdvnthrpseywdyeshvvewgnqddyqlvrklgrgkysevfeainitnn
    ekvvvkilkpvkkkkikreikilenlrggpniitladivkdpvsrtpalvfehvnntdfk
    qlyqtltdydirfymyeilkaldychsmgimhrdvkphnvmidhehrklrlidwglaefy
    hpgqeynvrvasryfkgpellvdyqmydysldmwslgcmlasmifrkepffhghdnydql
    vriakvlgtedlydyidkynieldprfndilgrhsrkrwerfvhsenqhlvspealdfld
    kllrydhqsrltareamehpyfytv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6gmdB (B:)
    gsmdiefdddadddgsgsgsgsgssgpvpsrarvytdvnthrpseywdyeshvvewgnqd
    dyqlvrklgrgkysevfeainitnnekvvvkilkpvkkkkikreikilenlrggpniitl
    adivkdpvsrtpalvfehvnntdfkqlyqtltdydirfymyeilkaldychsmgimhrdv
    kphnvmidhehrklrlidwglaefyhpgqeynvrvasryfkgpellvdyqmydysldmws
    lgcmlasmifrkepffhghdnydqlvriakvlgtedlydyidkynieldprfndilgrhs
    rkrwerfvhsenqhlvspealdfldkllrydhqsrltareamehpyfytvvk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6gmdB (B:)
    gpvpsrarvytdvnthrpseywdyeshvvewgnqddyqlvrklgrgkysevfeainitnn
    ekvvvkilkpvkkkkikreikilenlrggpniitladivkdpvsrtpalvfehvnntdfk
    qlyqtltdydirfymyeilkaldychsmgimhrdvkphnvmidhehrklrlidwglaefy
    hpgqeynvrvasryfkgpellvdyqmydysldmwslgcmlasmifrkepffhghdnydql
    vriakvlgtedlydyidkynieldprfndilgrhsrkrwerfvhsenqhlvspealdfld
    kllrydhqsrltareamehpyfytvv