PDB entry 5cu0

View 5cu0 on RCSB PDB site
Description: Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound
Class: transferase
Keywords: CK2alpha, CK2a, fragment based drug discovery, high concentration screening, selective ATP competitive inhibitors, surface entrophy reduction, transferase
Deposited on 2015-07-24, released 2016-11-30
The last revision prior to the SCOPe 2.06 freeze date was dated 2016-11-30, with a file datestamp of 2016-11-25.
Experiment type: XRAY
Resolution: 2.18 Å
R-factor: N/A
AEROSPACI score: 0.27 (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 2.06: d5cu0a_
  • 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 2.06: d5cu0b_
  • Heterogens: 54R, 54G, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5cu0A (A:)
gsmdiefdddadddgsgsgsgsgssgpvpsrarvytdvnthrpseywdyeshvvewgnqd
dyqlvrklgrgkysevfeainitnnekvvvkilkpvkkkkikreikilenlrggpniitl
adivkdpvsrtpalvfehvnntdfkqlyqtltdydirfymyeilkaldychsmgimhrdv
kphnvmidhehrklrlidwglaefyhpgqeynvrvasryfkgpellvdyqmydysldmws
lgcmlasmifrkepffhghdnydqlvriakvlgtedlydyidkynieldprfndilgrhs
rkrwerfvhsenqhlvspealdfldkllrydhqsrltareamehpyfytvvk

    Sequence, based on observed residues (ATOM records): (download) 
    >5cu0A (A:)
sgpvpsrarvytdvnthrpseywdyeshvvewgnqddyqlvrklgrgkysevfeainitn
nekvvvkilkpvkkkkikreikilenlrggpniitladivkdpvsrtpalvfehvnntdf
kqlyqtltdydirfymyeilkaldychsmgimhrdvkphnvmidhehrklrlidwglaef
yhpgqeynvrvasryfkgpellvdyqmydysldmwslgcmlasmifrkepffhghdnydq
lvriakvlgtedlydyidkynieldprfndilgrhsrkrwerfvhsenqhlvspealdfl
dkllrydhqsrltareamehpyfytvv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5cu0B (B:)
gsmdiefdddadddgsgsgsgsgssgpvpsrarvytdvnthrpseywdyeshvvewgnqd
dyqlvrklgrgkysevfeainitnnekvvvkilkpvkkkkikreikilenlrggpniitl
adivkdpvsrtpalvfehvnntdfkqlyqtltdydirfymyeilkaldychsmgimhrdv
kphnvmidhehrklrlidwglaefyhpgqeynvrvasryfkgpellvdyqmydysldmws
lgcmlasmifrkepffhghdnydqlvriakvlgtedlydyidkynieldprfndilgrhs
rkrwerfvhsenqhlvspealdfldkllrydhqsrltareamehpyfytvvk

    Sequence, based on observed residues (ATOM records): (download) 
    >5cu0B (B:)
pvpsrarvytdvnthrpseywdyeshvvewgnqddyqlvrklgrgkysevfeainitnne
kvvvkilkpvkkkkikreikilenlrggpniitladivkdpvsrtpalvfehvnntdfkq
lyqtltdydirfymyeilkaldychsmgimhrdvkphnvmidhehrklrlidwglaefyh
pgqeynvrvasryfkgpellvdyqmydysldmwslgcmlasmifrkepffhghdnydqlv
riakvlgtedlydyidkynieldprfndilgrhsrkrwerfvhsenqhlvspealdfldk
llrydhqsrltareamehpyfytvv