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 2.08 freeze date was dated 2020-07-29, with a file datestamp of 2020-06-29.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: N/A
AEROSPACI score: 0.29 (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 2.08: 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 2.08: 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