PDB entry 5w4w

View 5w4w on RCSB PDB site
Description: Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Class: transferase/inhibitor
Keywords: kinase, inhibitor, TRANSFERASE-INHIBITOR complex
Deposited on 2017-06-13, released 2017-06-28
The last revision prior to the SCOPe 2.06 freeze date was dated 2017-06-28, with a file datestamp of 2017-06-23.
Experiment type: XRAY
Resolution: 1.99 Å
R-factor: N/A
AEROSPACI score: 0.32 (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): Domains in SCOPe 2.06: d5w4wa_
  • Chain 'B':
    Compound: Casein kinase I isoform delta
    Species: Homo sapiens [TaxId:9606]
    Gene: CSNK1D, HCKID
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5w4wb_
  • Chain 'C':
    Compound: Casein kinase I isoform delta
    Species: Homo sapiens [TaxId:9606]
    Gene: CSNK1D, HCKID
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5w4wc_
  • Chain 'D':
    Compound: Casein kinase I isoform delta
    Species: Homo sapiens [TaxId:9606]
    Gene: CSNK1D, HCKID
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5w4wd_
  • Heterogens: 9WG, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5w4wA (A:)
    mhhhhhhssglvprgslrvgnryrlgrkigsgsfgdiylgtdiaageevaiklecvktkh
    pqlhieskiykmmqggvgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvl
    lladqmisrieyihsknfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhip
    yrenknltgtaryasinthlgieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkye
    risekkmstpievlckgypsefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydy
    vfdwnmlkfgasraaddaererrdreerlrh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5w4wA (A:)
    lrvgnryrlgrkigsgsfgdiylgtdiaageevaiklecvktkhpqlhieskiykmmqgg
    vgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvllladqmisrieyihsk
    nfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhipyrenknltgtaryasi
    nthlgieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkyerisekkmstpievlck
    gypsefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydyvfdwnml
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5w4wB (B:)
    mhhhhhhssglvprgslrvgnryrlgrkigsgsfgdiylgtdiaageevaiklecvktkh
    pqlhieskiykmmqggvgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvl
    lladqmisrieyihsknfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhip
    yrenknltgtaryasinthlgieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkye
    risekkmstpievlckgypsefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydy
    vfdwnmlkfgasraaddaererrdreerlrh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5w4wB (B:)
    lrvgnryrlgrkigsgsfgdiylgtdiaageevaiklecvktkhpqlhieskiykmmqgg
    vgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvllladqmisrieyihsk
    nfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhipyrenknltgtaryasi
    nthlgieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkyerisekkmstpievlck
    gypsefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydyvfdwnml
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5w4wC (C:)
    mhhhhhhssglvprgslrvgnryrlgrkigsgsfgdiylgtdiaageevaiklecvktkh
    pqlhieskiykmmqggvgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvl
    lladqmisrieyihsknfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhip
    yrenknltgtaryasinthlgieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkye
    risekkmstpievlckgypsefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydy
    vfdwnmlkfgasraaddaererrdreerlrh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5w4wC (C:)
    rvgnryrlgrkigsgsfgdiylgtdiaageevaiklecvktkhpqlhieskiykmmqggv
    giptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvllladqmisrieyihskn
    fihrdvkpdnflmglgkkgnlvyiidfglakkyrqhipyreknltgtaryasinthlgie
    qsrrddleslgyvlmyfnlgslpwqglkaatkrqkyerisekkmstpievlckgypsefa
    tylnfcrslrfddkpdysylrqlfrnlfhrqgfsydyvfdwnml
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5w4wD (D:)
    mhhhhhhssglvprgslrvgnryrlgrkigsgsfgdiylgtdiaageevaiklecvktkh
    pqlhieskiykmmqggvgiptirwcgaegdynvmvmellgpsledlfnfcsrkfslktvl
    lladqmisrieyihsknfihrdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhip
    yrenknltgtaryasinthlgieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkye
    risekkmstpievlckgypsefatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydy
    vfdwnmlkfgasraaddaererrdreerlrh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5w4wD (D:)
    lrvgnryrlgrkigsgsfgdiylgtdiaageevaiklecvpqlhieskiykmmqggvgip
    tirwcgaegdynvmvmellgpsledlfnfcsrkfslktvllladqmisrieyihsknfih
    rdvkpdnflmglgkkgnlvyiidfglakkyrdarthqhipyrenknltgtaryasinthl
    gieqsrrddleslgyvlmyfnlgslpwqglkaatkrqkyerisekkmstpievlckgyps
    efatylnfcrslrfddkpdysylrqlfrnlfhrqgfsydyvfdwnml