PDB entry 4tw9

View 4tw9 on RCSB PDB site
Description: Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation
Class: transferase
Keywords: Transferase, CK1delta, CK1epsilon, phosphorylation, small molecule inhibitor
Deposited on 2014-06-30, released 2014-07-30
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-10-22, with a file datestamp of 2014-10-17.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.21
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Casein kinase I isoform delta
    Species: Homo sapiens [TaxId:9606]
    Gene: CSNK1D, HCKID
    Database cross-references and differences (RAF-indexed):
    • Uniprot P48730 (Start-294)
      • engineered mutation (12)
    Domains in SCOPe 2.06: d4tw9a_
  • Chain 'B':
    Compound: Casein kinase I isoform delta
    Species: Homo sapiens [TaxId:9606]
    Gene: CSNK1D, HCKID
    Database cross-references and differences (RAF-indexed):
    • Uniprot P48730 (0-294)
      • engineered mutation (12)
    Domains in SCOPe 2.06: d4tw9b_
  • Heterogens: SO4, HSJ, CL, NA, 386, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4tw9A (A:)
    melrvgnryrlgnkigsgsfgdiylgtdiaageevaiklecvktkhpqlhieskiykmmq
    ggvgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvllladqmisrieyih
    sknfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhipyrenknltgtarya
    sinthlgieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkyerisekkmstpievl
    ckgypsefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydyvfdwnmlkf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4tw9A (A:)
    elrvgnryrlgnkigsgsfgdiylgtdiaageevaiklecvktkhpqlhieskiykmmqg
    gvgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvllladqmisrieyihs
    knfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhipyrenknltgtaryas
    inthlgieqsrrddleslgyvlmyfnlgslpwqglkaakyerisekkmstpievlckgyp
    sefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydyvfdwnmlkf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4tw9B (B:)
    melrvgnryrlgnkigsgsfgdiylgtdiaageevaiklecvktkhpqlhieskiykmmq
    ggvgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvllladqmisrieyih
    sknfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhipyrenknltgtarya
    sinthlgieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkyerisekkmstpievl
    ckgypsefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydyvfdwnmlkf
    

    Sequence, based on observed residues (ATOM records): (download)
    >4tw9B (B:)
    melrvgnryrlgnkigsgsfgdiylgtdiaageevaiklecvktkhpqlhieskiykmmq
    ggvgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvllladqmisrieyih
    sknfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhipyrenknltgtarya
    sinthlgieqsrrddleslgyvlmyfnlgslpwqglkkyerisekkmstpievlckgyps
    efatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydyvfdwnmlkf