PDB entry 5mmr

View 5mmr on RCSB PDB site
Description: Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound
Class: transferase
Keywords: CK2alpha, CK2a, fragment based drug discovery, high concentration screening, selective ATP competitive inhibitors, surface entrophy reduction, transferase
Deposited on 2016-12-12, released 2017-05-24
The last revision prior to the SCOPe 2.06 freeze date was dated 2017-05-24, with a file datestamp of 2017-05-19.
Experiment type: XRAY
Resolution: 2 Å
R-factor: N/A
AEROSPACI score: 0.31 (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 2.06: d5mmra_
  • 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: d5mmrb_
  • Heterogens: H83, ACT, PO4, HOH

PDB Chain Sequences:

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5mmrB (B:)
gpvpsrarvytdvnthrpseywdyeshvvewgnqddyqlvrklgrgkysevfeainitnn
ekvvvkilkpvkkkkikreikilenlrggpniitladivkdpvsrtpalvfehvnntdfk
qlyqtltdydirfymyeilkaldychsmgimhrdvkphnvmidhehrklrlidwglaefy
hpgqeynvrvasryfkgpellvdyqmydysldmwslgcmlasmifrkepffhghdnydql
vriakvlgtedlydyidkynieldprfndilgrhsrkrwerfvhsenqhlvspealdfld
kllrydhqsrltareamehpyfytv