PDB entry 4kin

View 4kin on RCSB PDB site
Description: Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
Class: transferase/transferase inhibitor
Keywords: SERINE/THREONINE-PROTEIN KINASE, KINASE, TRANSFERASE, P38 MAP KINASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-05-02, released 2013-06-12
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-08-07, with a file datestamp of 2013-08-02.
Experiment type: XRAY
Resolution: 1.97 Å
R-factor: 0.186
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mitogen-activated protein kinase 14
    Species: Homo sapiens [TaxId:9606]
    Gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4kina_
  • Chain 'B':
    Compound: Mitogen-activated protein kinase 14
    Species: Homo sapiens [TaxId:9606]
    Gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4kinb_
  • Chain 'C':
    Compound: Mitogen-activated protein kinase 14
    Species: Homo sapiens [TaxId:9606]
    Gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4kinc_
  • Chain 'D':
    Compound: Mitogen-activated protein kinase 14
    Species: Homo sapiens [TaxId:9606]
    Gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4kind_
  • Heterogens: 1M8, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4kinA (A:)
    mahhhhhsqerptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkk
    lsrpfqsiihakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadln
    nivkcqkltddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarh
    tddemtgyvatrwyrapeimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlkl
    ilrlvgtpgaellkkissesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsd
    kritaaqalahayfaqyhdpddepvadpydqsfesrdllidewksltydevisfvpppld
    qeemes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kinA (A:)
    rptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkklsrpfqsiih
    akrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadlnvkcqkltddh
    vqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglaryvatrwyrapeim
    lnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlklilrlvgtpgaellkkisses
    arnyiqsltqmpkmnfanvfiganplavdllekmlvldsdkritaaqalahayfaqyhdp
    ddepvadpydqsfesrdllidewksltydevisfvppp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4kinB (B:)
    mahhhhhsqerptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkk
    lsrpfqsiihakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadln
    nivkcqkltddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarh
    tddemtgyvatrwyrapeimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlkl
    ilrlvgtpgaellkkissesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsd
    kritaaqalahayfaqyhdpddepvadpydqsfesrdllidewksltydevisfvpppld
    qeemes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kinB (B:)
    erptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkklsrpfqsii
    hakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadlnnivkcqklt
    ddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglaryvatrwyrap
    eimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlklilrlvgtpgaellkkis
    sesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsdkritaaqalahayfaqy
    hdpddepvadpydqsfesrdllidewksltydevisfvppp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4kinC (C:)
    mahhhhhsqerptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkk
    lsrpfqsiihakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadln
    nivkcqkltddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarh
    tddemtgyvatrwyrapeimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlkl
    ilrlvgtpgaellkkissesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsd
    kritaaqalahayfaqyhdpddepvadpydqsfesrdllidewksltydevisfvpppld
    qeemes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kinC (C:)
    erptfyrqelnktiwevperyqnlspvgaygsvcaafdtktglrvavkklsrpfqsiiha
    krtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadlnnivkcqkltdd
    hvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarhatrwyrapeim
    lnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlklilrlvgtpgaellkkisses
    arnyiqsltqmpkmnfanvfiganplavdllekmlvldsdkritaaqalahayfaqyhdp
    ddepvadpydqsfesrdllidewksltydevisfvppp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4kinD (D:)
    mahhhhhsqerptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkk
    lsrpfqsiihakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadln
    nivkcqkltddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarh
    tddemtgyvatrwyrapeimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlkl
    ilrlvgtpgaellkkissesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsd
    kritaaqalahayfaqyhdpddepvadpydqsfesrdllidewksltydevisfvpppld
    qeemes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kinD (D:)
    erptfyrqelnktiwevperyqnlspvaygsvcaafdtktglrvavkklsrpfqsiihak
    rtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadlnnivkcqkltddh
    vqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarhatrwyrapeiml
    nwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlklilrlvgtpgaellkkissesa
    rnyiqsltqmpkmnfanvfiganplavdllekmlvldsdkritaaqalahayfaqyhdpd
    depvadpydqsfesrdllidewksltydevisfvpppld